USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 GLN : amide:sc= -1.64! C(o=-1.4!,f=-4!) USER MOD Set 1.2: A 79 TYR OH : rot 106:sc= 0.196 USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= 0.472 USER MOD Set 2.2: A 97 THR OG1 : rot -105:sc= 0.135 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -1.15 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0523) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-6.6!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc=-0.00529 K(o=-0.0053,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.22 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0817 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.539 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 67 SER OG : rot -40:sc= 0.099 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00383 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -3! C(o=-3!,f=-4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.758 USER MOD Single : A 87 CYS SG : rot 160:sc= -0.0194 USER MOD Single : A 89 HIS : +bothHN:sc= -0.462 K(o=-0.46,f=-4.2!) USER MOD Single : A 90 GLN : amide:sc=-0.00424 X(o=-0.0042,f=-0.27) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 1.422 7.737 1.760 1.00 34.20 N ATOM 53 CA SER A 6 0.763 8.913 2.315 1.00 32.23 C ATOM 54 C SER A 6 0.115 9.744 1.213 1.00 73.33 C ATOM 55 O SER A 6 0.617 9.808 0.091 1.00 63.14 O ATOM 56 CB SER A 6 1.768 9.768 3.089 1.00 60.00 C ATOM 57 OG SER A 6 1.564 9.656 4.487 1.00 55.33 O ATOM 0 HA SER A 6 -0.017 8.574 2.996 1.00 32.23 H new ATOM 0 HB2 SER A 6 2.783 9.456 2.840 1.00 60.00 H new ATOM 0 HB3 SER A 6 1.672 10.811 2.787 1.00 60.00 H new ATOM 0 HG SER A 6 2.220 10.211 4.959 1.00 55.33 H new ATOM 63 N VAL A 7 -1.006 10.379 1.540 1.00 14.02 N ATOM 64 CA VAL A 7 -1.725 11.207 0.579 1.00 74.31 C ATOM 65 C VAL A 7 -0.943 12.473 0.251 1.00 3.23 C ATOM 66 O VAL A 7 -0.691 12.776 -0.916 1.00 52.52 O ATOM 67 CB VAL A 7 -3.118 11.599 1.107 1.00 51.25 C ATOM 68 CG1 VAL A 7 -3.891 12.373 0.050 1.00 43.20 C ATOM 69 CG2 VAL A 7 -3.889 10.364 1.545 1.00 22.34 C ATOM 0 H VAL A 7 -1.436 10.336 2.464 1.00 14.02 H new ATOM 0 HA VAL A 7 -1.842 10.611 -0.326 1.00 74.31 H new ATOM 0 HB VAL A 7 -2.989 12.245 1.975 1.00 51.25 H new ATOM 0 HG11 VAL A 7 -4.873 12.641 0.441 1.00 43.20 H new ATOM 0 HG12 VAL A 7 -3.344 13.279 -0.210 1.00 43.20 H new ATOM 0 HG13 VAL A 7 -4.011 11.754 -0.839 1.00 43.20 H new ATOM 0 HG21 VAL A 7 -4.871 10.660 1.915 1.00 22.34 H new ATOM 0 HG22 VAL A 7 -4.009 9.690 0.697 1.00 22.34 H new ATOM 0 HG23 VAL A 7 -3.341 9.855 2.338 1.00 22.34 H new ATOM 79 N LEU A 8 -0.559 13.210 1.288 1.00 53.24 N ATOM 80 CA LEU A 8 0.197 14.445 1.111 1.00 74.31 C ATOM 81 C LEU A 8 1.643 14.268 1.563 1.00 33.23 C ATOM 82 O LEU A 8 1.912 13.629 2.580 1.00 11.43 O ATOM 83 CB LEU A 8 -0.459 15.584 1.894 1.00 41.22 C ATOM 84 CG LEU A 8 -1.737 16.165 1.289 1.00 1.33 C ATOM 85 CD1 LEU A 8 -2.382 17.151 2.251 1.00 20.32 C ATOM 86 CD2 LEU A 8 -1.439 16.835 -0.044 1.00 12.52 C ATOM 0 H LEU A 8 -0.759 12.974 2.260 1.00 53.24 H new ATOM 0 HA LEU A 8 0.196 14.694 0.050 1.00 74.31 H new ATOM 0 HB2 LEU A 8 -0.687 15.224 2.897 1.00 41.22 H new ATOM 0 HB3 LEU A 8 0.267 16.390 2.001 1.00 41.22 H new ATOM 0 HG LEU A 8 -2.437 15.348 1.114 1.00 1.33 H new ATOM 0 HD11 LEU A 8 -3.290 17.555 1.804 1.00 20.32 H new ATOM 0 HD12 LEU A 8 -2.631 16.641 3.182 1.00 20.32 H new ATOM 0 HD13 LEU A 8 -1.687 17.965 2.458 1.00 20.32 H new ATOM 0 HD21 LEU A 8 -2.360 17.243 -0.460 1.00 12.52 H new ATOM 0 HD22 LEU A 8 -0.721 17.641 0.106 1.00 12.52 H new ATOM 0 HD23 LEU A 8 -1.022 16.102 -0.735 1.00 12.52 H new ATOM 98 N SER A 9 2.570 14.840 0.801 1.00 10.31 N ATOM 99 CA SER A 9 3.989 14.744 1.123 1.00 0.22 C ATOM 100 C SER A 9 4.353 15.691 2.262 1.00 21.12 C ATOM 101 O SER A 9 3.485 16.159 2.998 1.00 74.25 O ATOM 102 CB SER A 9 4.835 15.063 -0.110 1.00 64.03 C ATOM 103 OG SER A 9 5.114 16.450 -0.194 1.00 3.35 O ATOM 0 H SER A 9 2.364 15.374 -0.043 1.00 10.31 H new ATOM 0 HA SER A 9 4.196 13.723 1.443 1.00 0.22 H new ATOM 0 HB2 SER A 9 5.769 14.503 -0.068 1.00 64.03 H new ATOM 0 HB3 SER A 9 4.310 14.740 -1.009 1.00 64.03 H new ATOM 0 HG SER A 9 5.658 16.627 -0.990 1.00 3.35 H new ATOM 109 N GLY A 10 5.646 15.970 2.401 1.00 20.25 N ATOM 110 CA GLY A 10 6.103 16.860 3.454 1.00 63.13 C ATOM 111 C GLY A 10 5.663 18.293 3.232 1.00 4.04 C ATOM 112 O GLY A 10 4.980 18.877 4.073 1.00 23.21 O ATOM 0 H GLY A 10 6.384 15.596 1.804 1.00 20.25 H new ATOM 0 HA2 GLY A 10 5.721 16.510 4.413 1.00 63.13 H new ATOM 0 HA3 GLY A 10 7.191 16.822 3.511 1.00 63.13 H new ATOM 116 N GLY A 11 6.056 18.864 2.097 1.00 33.41 N ATOM 117 CA GLY A 11 5.690 20.234 1.790 1.00 23.40 C ATOM 118 C GLY A 11 4.190 20.422 1.679 1.00 13.40 C ATOM 119 O GLY A 11 3.666 21.483 2.015 1.00 2.43 O ATOM 0 H GLY A 11 6.621 18.402 1.385 1.00 33.41 H new ATOM 0 HA2 GLY A 11 6.079 20.893 2.566 1.00 23.40 H new ATOM 0 HA3 GLY A 11 6.161 20.531 0.853 1.00 23.40 H new ATOM 123 N GLU A 12 3.498 19.390 1.206 1.00 3.40 N ATOM 124 CA GLU A 12 2.050 19.449 1.051 1.00 43.01 C ATOM 125 C GLU A 12 1.354 19.389 2.408 1.00 53.34 C ATOM 126 O GLU A 12 0.285 19.973 2.596 1.00 2.11 O ATOM 127 CB GLU A 12 1.563 18.301 0.165 1.00 35.31 C ATOM 128 CG GLU A 12 2.394 18.106 -1.092 1.00 53.43 C ATOM 129 CD GLU A 12 1.758 17.137 -2.069 1.00 75.02 C ATOM 130 OE1 GLU A 12 1.940 15.914 -1.894 1.00 20.12 O ATOM 131 OE2 GLU A 12 1.077 17.601 -3.007 1.00 70.13 O ATOM 0 H GLU A 12 3.917 18.504 0.924 1.00 3.40 H new ATOM 0 HA GLU A 12 1.800 20.397 0.576 1.00 43.01 H new ATOM 0 HB2 GLU A 12 1.573 17.377 0.744 1.00 35.31 H new ATOM 0 HB3 GLU A 12 0.527 18.487 -0.120 1.00 35.31 H new ATOM 0 HG2 GLU A 12 2.536 19.069 -1.582 1.00 53.43 H new ATOM 0 HG3 GLU A 12 3.383 17.740 -0.816 1.00 53.43 H new ATOM 138 N LEU A 13 1.966 18.680 3.349 1.00 3.13 N ATOM 139 CA LEU A 13 1.408 18.544 4.689 1.00 35.34 C ATOM 140 C LEU A 13 1.315 19.899 5.382 1.00 72.20 C ATOM 141 O LEU A 13 0.287 20.239 5.969 1.00 22.30 O ATOM 142 CB LEU A 13 2.261 17.588 5.525 1.00 62.33 C ATOM 143 CG LEU A 13 1.696 17.204 6.892 1.00 0.45 C ATOM 144 CD1 LEU A 13 0.256 16.734 6.763 1.00 51.33 C ATOM 145 CD2 LEU A 13 2.554 16.127 7.541 1.00 3.20 C ATOM 0 H LEU A 13 2.850 18.190 3.209 1.00 3.13 H new ATOM 0 HA LEU A 13 0.402 18.135 4.595 1.00 35.34 H new ATOM 0 HB2 LEU A 13 2.418 16.675 4.950 1.00 62.33 H new ATOM 0 HB3 LEU A 13 3.240 18.043 5.674 1.00 62.33 H new ATOM 0 HG LEU A 13 1.712 18.087 7.530 1.00 0.45 H new ATOM 0 HD11 LEU A 13 -0.128 16.465 7.747 1.00 51.33 H new ATOM 0 HD12 LEU A 13 -0.352 17.535 6.342 1.00 51.33 H new ATOM 0 HD13 LEU A 13 0.214 15.864 6.107 1.00 51.33 H new ATOM 0 HD21 LEU A 13 2.137 15.866 8.514 1.00 3.20 H new ATOM 0 HD22 LEU A 13 2.571 15.242 6.904 1.00 3.20 H new ATOM 0 HD23 LEU A 13 3.570 16.500 7.671 1.00 3.20 H new ATOM 157 N ASP A 14 2.394 20.670 5.309 1.00 4.40 N ATOM 158 CA ASP A 14 2.435 21.990 5.926 1.00 54.45 C ATOM 159 C ASP A 14 1.463 22.943 5.235 1.00 63.42 C ATOM 160 O ASP A 14 0.718 23.671 5.891 1.00 42.53 O ATOM 161 CB ASP A 14 3.852 22.560 5.871 1.00 3.32 C ATOM 162 CG ASP A 14 4.633 22.294 7.144 1.00 14.24 C ATOM 163 OD1 ASP A 14 4.170 22.719 8.224 1.00 40.24 O ATOM 164 OD2 ASP A 14 5.705 21.660 7.060 1.00 15.02 O ATOM 0 H ASP A 14 3.253 20.403 4.828 1.00 4.40 H new ATOM 0 HA ASP A 14 2.135 21.885 6.969 1.00 54.45 H new ATOM 0 HB2 ASP A 14 4.383 22.124 5.025 1.00 3.32 H new ATOM 0 HB3 ASP A 14 3.802 23.635 5.697 1.00 3.32 H new ATOM 169 N LYS A 15 1.478 22.934 3.906 1.00 24.44 N ATOM 170 CA LYS A 15 0.600 23.795 3.124 1.00 52.31 C ATOM 171 C LYS A 15 -0.856 23.363 3.268 1.00 21.05 C ATOM 172 O LYS A 15 -1.770 24.180 3.153 1.00 23.43 O ATOM 173 CB LYS A 15 1.007 23.769 1.649 1.00 0.33 C ATOM 174 CG LYS A 15 0.199 24.717 0.779 1.00 73.32 C ATOM 175 CD LYS A 15 1.075 25.794 0.164 1.00 3.11 C ATOM 176 CE LYS A 15 1.373 26.906 1.160 1.00 62.44 C ATOM 177 NZ LYS A 15 0.198 27.798 1.362 1.00 34.35 N ATOM 0 H LYS A 15 2.090 22.339 3.348 1.00 24.44 H new ATOM 0 HA LYS A 15 0.698 24.812 3.504 1.00 52.31 H new ATOM 0 HB2 LYS A 15 2.063 24.025 1.567 1.00 0.33 H new ATOM 0 HB3 LYS A 15 0.895 22.754 1.267 1.00 0.33 H new ATOM 0 HG2 LYS A 15 -0.296 24.154 -0.012 1.00 73.32 H new ATOM 0 HG3 LYS A 15 -0.585 25.182 1.377 1.00 73.32 H new ATOM 0 HD2 LYS A 15 2.010 25.352 -0.180 1.00 3.11 H new ATOM 0 HD3 LYS A 15 0.579 26.212 -0.712 1.00 3.11 H new ATOM 0 HE2 LYS A 15 1.666 26.470 2.115 1.00 62.44 H new ATOM 0 HE3 LYS A 15 2.219 27.494 0.805 1.00 62.44 H new ATOM 0 HZ1 LYS A 15 0.490 28.642 1.895 1.00 34.35 H new ATOM 0 HZ2 LYS A 15 -0.182 28.087 0.438 1.00 34.35 H new ATOM 0 HZ3 LYS A 15 -0.537 27.289 1.894 1.00 34.35 H new ATOM 191 N TRP A 16 -1.063 22.076 3.522 1.00 13.13 N ATOM 192 CA TRP A 16 -2.409 21.537 3.683 1.00 22.44 C ATOM 193 C TRP A 16 -3.108 22.166 4.883 1.00 53.13 C ATOM 194 O TRP A 16 -4.272 22.558 4.799 1.00 25.10 O ATOM 195 CB TRP A 16 -2.355 20.016 3.849 1.00 45.51 C ATOM 196 CG TRP A 16 -3.697 19.399 4.101 1.00 0.02 C ATOM 197 CD1 TRP A 16 -4.168 18.920 5.290 1.00 13.45 C ATOM 198 CD2 TRP A 16 -4.738 19.191 3.141 1.00 34.24 C ATOM 199 NE1 TRP A 16 -5.440 18.428 5.128 1.00 71.14 N ATOM 200 CE2 TRP A 16 -5.814 18.582 3.819 1.00 2.41 C ATOM 201 CE3 TRP A 16 -4.869 19.460 1.777 1.00 51.43 C ATOM 202 CZ2 TRP A 16 -7.000 18.239 3.176 1.00 3.54 C ATOM 203 CZ3 TRP A 16 -6.046 19.120 1.140 1.00 73.22 C ATOM 204 CH2 TRP A 16 -7.100 18.515 1.839 1.00 32.21 C ATOM 0 H TRP A 16 -0.317 21.387 3.621 1.00 13.13 H new ATOM 0 HA TRP A 16 -2.979 21.778 2.786 1.00 22.44 H new ATOM 0 HB2 TRP A 16 -1.923 19.575 2.951 1.00 45.51 H new ATOM 0 HB3 TRP A 16 -1.689 19.771 4.677 1.00 45.51 H new ATOM 0 HD1 TRP A 16 -3.621 18.927 6.221 1.00 13.45 H new ATOM 0 HE1 TRP A 16 -6.014 18.015 5.863 1.00 71.14 H new ATOM 0 HE3 TRP A 16 -4.063 19.926 1.229 1.00 51.43 H new ATOM 0 HZ2 TRP A 16 -7.812 17.772 3.713 1.00 3.54 H new ATOM 0 HZ3 TRP A 16 -6.157 19.324 0.085 1.00 73.22 H new ATOM 0 HH2 TRP A 16 -8.008 18.262 1.312 1.00 32.21 H new ATOM 215 N GLU A 17 -2.390 22.261 5.998 1.00 13.44 N ATOM 216 CA GLU A 17 -2.945 22.844 7.215 1.00 41.11 C ATOM 217 C GLU A 17 -3.049 24.361 7.092 1.00 1.34 C ATOM 218 O GLU A 17 -3.565 25.033 7.985 1.00 5.44 O ATOM 219 CB GLU A 17 -2.079 22.477 8.422 1.00 64.12 C ATOM 220 CG GLU A 17 -2.365 21.092 8.977 1.00 65.23 C ATOM 221 CD GLU A 17 -1.977 20.957 10.437 1.00 55.23 C ATOM 222 OE1 GLU A 17 -2.729 21.461 11.298 1.00 31.21 O ATOM 223 OE2 GLU A 17 -0.924 20.349 10.719 1.00 53.44 O ATOM 0 H GLU A 17 -1.425 21.943 6.084 1.00 13.44 H new ATOM 0 HA GLU A 17 -3.947 22.439 7.359 1.00 41.11 H new ATOM 0 HB2 GLU A 17 -1.029 22.535 8.136 1.00 64.12 H new ATOM 0 HB3 GLU A 17 -2.236 23.214 9.209 1.00 64.12 H new ATOM 0 HG2 GLU A 17 -3.427 20.872 8.865 1.00 65.23 H new ATOM 0 HG3 GLU A 17 -1.822 20.350 8.391 1.00 65.23 H new ATOM 230 N LYS A 18 -2.556 24.894 5.980 1.00 54.44 N ATOM 231 CA LYS A 18 -2.594 26.332 5.738 1.00 44.21 C ATOM 232 C LYS A 18 -3.806 26.710 4.892 1.00 61.14 C ATOM 233 O LYS A 18 -4.181 27.880 4.816 1.00 32.35 O ATOM 234 CB LYS A 18 -1.310 26.786 5.041 1.00 45.55 C ATOM 235 CG LYS A 18 -0.066 26.641 5.901 1.00 53.03 C ATOM 236 CD LYS A 18 0.117 27.835 6.823 1.00 53.05 C ATOM 237 CE LYS A 18 0.820 28.983 6.116 1.00 22.25 C ATOM 238 NZ LYS A 18 0.437 30.304 6.686 1.00 1.03 N ATOM 0 H LYS A 18 -2.125 24.352 5.231 1.00 54.44 H new ATOM 0 HA LYS A 18 -2.675 26.836 6.701 1.00 44.21 H new ATOM 0 HB2 LYS A 18 -1.179 26.207 4.127 1.00 45.55 H new ATOM 0 HB3 LYS A 18 -1.417 27.830 4.745 1.00 45.55 H new ATOM 0 HG2 LYS A 18 -0.137 25.729 6.494 1.00 53.03 H new ATOM 0 HG3 LYS A 18 0.810 26.537 5.261 1.00 53.03 H new ATOM 0 HD2 LYS A 18 -0.856 28.170 7.184 1.00 53.05 H new ATOM 0 HD3 LYS A 18 0.696 27.536 7.697 1.00 53.05 H new ATOM 0 HE2 LYS A 18 1.899 28.852 6.196 1.00 22.25 H new ATOM 0 HE3 LYS A 18 0.574 28.961 5.054 1.00 22.25 H new ATOM 0 HZ1 LYS A 18 0.938 31.060 6.177 1.00 1.03 H new ATOM 0 HZ2 LYS A 18 -0.589 30.440 6.587 1.00 1.03 H new ATOM 0 HZ3 LYS A 18 0.695 30.335 7.693 1.00 1.03 H new ATOM 252 N ILE A 19 -4.412 25.713 4.257 1.00 21.21 N ATOM 253 CA ILE A 19 -5.582 25.941 3.419 1.00 74.12 C ATOM 254 C ILE A 19 -6.848 26.059 4.261 1.00 12.34 C ATOM 255 O ILE A 19 -7.090 25.246 5.154 1.00 54.41 O ATOM 256 CB ILE A 19 -5.768 24.810 2.390 1.00 34.40 C ATOM 257 CG1 ILE A 19 -4.509 24.656 1.535 1.00 2.34 C ATOM 258 CG2 ILE A 19 -6.980 25.085 1.513 1.00 70.41 C ATOM 259 CD1 ILE A 19 -4.269 23.239 1.062 1.00 43.15 C ATOM 0 H ILE A 19 -4.112 24.739 4.307 1.00 21.21 H new ATOM 0 HA ILE A 19 -5.411 26.878 2.890 1.00 74.12 H new ATOM 0 HB ILE A 19 -5.937 23.876 2.926 1.00 34.40 H new ATOM 0 HG12 ILE A 19 -4.586 25.312 0.668 1.00 2.34 H new ATOM 0 HG13 ILE A 19 -3.646 24.989 2.111 1.00 2.34 H new ATOM 0 HG21 ILE A 19 -7.098 24.277 0.791 1.00 70.41 H new ATOM 0 HG22 ILE A 19 -7.873 25.149 2.135 1.00 70.41 H new ATOM 0 HG23 ILE A 19 -6.839 26.027 0.983 1.00 70.41 H new ATOM 0 HD11 ILE A 19 -3.360 23.205 0.462 1.00 43.15 H new ATOM 0 HD12 ILE A 19 -4.159 22.581 1.924 1.00 43.15 H new ATOM 0 HD13 ILE A 19 -5.115 22.909 0.459 1.00 43.15 H new ATOM 271 N ARG A 20 -7.652 27.076 3.970 1.00 14.24 N ATOM 272 CA ARG A 20 -8.894 27.301 4.701 1.00 52.33 C ATOM 273 C ARG A 20 -10.065 26.606 4.011 1.00 20.12 C ATOM 274 O ARG A 20 -10.193 26.651 2.787 1.00 50.00 O ATOM 275 CB ARG A 20 -9.176 28.800 4.820 1.00 13.32 C ATOM 276 CG ARG A 20 -8.409 29.476 5.945 1.00 53.21 C ATOM 277 CD ARG A 20 -7.671 30.711 5.452 1.00 14.14 C ATOM 278 NE ARG A 20 -8.468 31.925 5.614 1.00 31.12 N ATOM 279 CZ ARG A 20 -7.958 33.151 5.567 1.00 63.32 C ATOM 280 NH1 ARG A 20 -6.659 33.324 5.363 1.00 65.13 N ATOM 281 NH2 ARG A 20 -8.747 34.205 5.723 1.00 44.34 N ATOM 0 H ARG A 20 -7.466 27.757 3.234 1.00 14.24 H new ATOM 0 HA ARG A 20 -8.780 26.879 5.699 1.00 52.33 H new ATOM 0 HB2 ARG A 20 -8.924 29.285 3.877 1.00 13.32 H new ATOM 0 HB3 ARG A 20 -10.244 28.949 4.979 1.00 13.32 H new ATOM 0 HG2 ARG A 20 -9.099 29.757 6.740 1.00 53.21 H new ATOM 0 HG3 ARG A 20 -7.696 28.772 6.375 1.00 53.21 H new ATOM 0 HD2 ARG A 20 -6.734 30.816 5.999 1.00 14.14 H new ATOM 0 HD3 ARG A 20 -7.413 30.584 4.401 1.00 14.14 H new ATOM 0 HE ARG A 20 -9.471 31.826 5.772 1.00 31.12 H new ATOM 0 HH11 ARG A 20 -6.050 32.515 5.242 1.00 65.13 H new ATOM 0 HH12 ARG A 20 -6.269 34.266 5.327 1.00 65.13 H new ATOM 0 HH21 ARG A 20 -9.747 34.075 5.879 1.00 44.34 H new ATOM 0 HH22 ARG A 20 -8.354 35.146 5.687 1.00 44.34 H new ATOM 295 N LEU A 21 -10.915 25.964 4.804 1.00 33.42 N ATOM 296 CA LEU A 21 -12.075 25.259 4.270 1.00 30.51 C ATOM 297 C LEU A 21 -13.030 26.226 3.578 1.00 44.32 C ATOM 298 O LEU A 21 -13.674 25.876 2.588 1.00 5.45 O ATOM 299 CB LEU A 21 -12.806 24.517 5.392 1.00 52.45 C ATOM 300 CG LEU A 21 -12.008 23.429 6.108 1.00 33.41 C ATOM 301 CD1 LEU A 21 -12.794 22.879 7.288 1.00 73.23 C ATOM 302 CD2 LEU A 21 -11.644 22.311 5.141 1.00 33.12 C ATOM 0 H LEU A 21 -10.823 25.917 5.819 1.00 33.42 H new ATOM 0 HA LEU A 21 -11.723 24.537 3.533 1.00 30.51 H new ATOM 0 HB2 LEU A 21 -13.131 25.248 6.132 1.00 52.45 H new ATOM 0 HB3 LEU A 21 -13.706 24.065 4.975 1.00 52.45 H new ATOM 0 HG LEU A 21 -11.086 23.871 6.486 1.00 33.41 H new ATOM 0 HD11 LEU A 21 -12.209 22.105 7.786 1.00 73.23 H new ATOM 0 HD12 LEU A 21 -13.004 23.684 7.992 1.00 73.23 H new ATOM 0 HD13 LEU A 21 -13.732 22.453 6.933 1.00 73.23 H new ATOM 0 HD21 LEU A 21 -11.076 21.545 5.668 1.00 33.12 H new ATOM 0 HD22 LEU A 21 -12.554 21.872 4.733 1.00 33.12 H new ATOM 0 HD23 LEU A 21 -11.041 22.715 4.328 1.00 33.12 H new ATOM 314 N ARG A 22 -13.112 27.445 4.101 1.00 20.23 N ATOM 315 CA ARG A 22 -13.987 28.463 3.533 1.00 10.02 C ATOM 316 C ARG A 22 -13.197 29.719 3.176 1.00 54.30 C ATOM 317 O ARG A 22 -12.069 29.922 3.625 1.00 71.54 O ATOM 318 CB ARG A 22 -15.105 28.812 4.516 1.00 34.21 C ATOM 319 CG ARG A 22 -16.451 28.211 4.147 1.00 72.33 C ATOM 320 CD ARG A 22 -16.523 26.738 4.513 1.00 34.53 C ATOM 321 NE ARG A 22 -17.735 26.103 3.999 1.00 22.04 N ATOM 322 CZ ARG A 22 -17.881 25.715 2.738 1.00 34.43 C ATOM 323 NH1 ARG A 22 -16.898 25.892 1.867 1.00 54.51 N ATOM 324 NH2 ARG A 22 -19.014 25.144 2.346 1.00 40.43 N ATOM 0 H ARG A 22 -12.583 27.752 4.917 1.00 20.23 H new ATOM 0 HA ARG A 22 -14.428 28.060 2.621 1.00 10.02 H new ATOM 0 HB2 ARG A 22 -14.823 28.467 5.511 1.00 34.21 H new ATOM 0 HB3 ARG A 22 -15.204 29.896 4.571 1.00 34.21 H new ATOM 0 HG2 ARG A 22 -17.245 28.753 4.659 1.00 72.33 H new ATOM 0 HG3 ARG A 22 -16.623 28.330 3.077 1.00 72.33 H new ATOM 0 HD2 ARG A 22 -15.648 26.223 4.116 1.00 34.53 H new ATOM 0 HD3 ARG A 22 -16.491 26.632 5.597 1.00 34.53 H new ATOM 0 HE ARG A 22 -18.510 25.950 4.644 1.00 22.04 H new ATOM 0 HH11 ARG A 22 -16.025 26.328 2.165 1.00 54.51 H new ATOM 0 HH12 ARG A 22 -17.014 25.592 0.899 1.00 54.51 H new ATOM 0 HH21 ARG A 22 -19.772 25.004 3.014 1.00 40.43 H new ATOM 0 HH22 ARG A 22 -19.126 24.846 1.377 1.00 40.43 H new ATOM 338 N PRO A 23 -13.804 30.585 2.351 1.00 53.04 N ATOM 339 CA PRO A 23 -13.177 31.836 1.916 1.00 55.03 C ATOM 340 C PRO A 23 -13.059 32.850 3.049 1.00 44.12 C ATOM 341 O PRO A 23 -12.079 33.588 3.134 1.00 44.43 O ATOM 342 CB PRO A 23 -14.129 32.353 0.834 1.00 32.31 C ATOM 343 CG PRO A 23 -15.449 31.752 1.172 1.00 41.20 C ATOM 344 CD PRO A 23 -15.150 30.409 1.778 1.00 43.02 C ATOM 0 HA PRO A 23 -12.156 31.680 1.566 1.00 55.03 H new ATOM 0 HB2 PRO A 23 -14.177 33.442 0.837 1.00 32.31 H new ATOM 0 HB3 PRO A 23 -13.800 32.051 -0.160 1.00 32.31 H new ATOM 0 HG2 PRO A 23 -15.997 32.383 1.872 1.00 41.20 H new ATOM 0 HG3 PRO A 23 -16.070 31.649 0.282 1.00 41.20 H new ATOM 0 HD2 PRO A 23 -15.880 30.141 2.542 1.00 43.02 H new ATOM 0 HD3 PRO A 23 -15.168 29.617 1.029 1.00 43.02 H new ATOM 352 N GLY A 24 -14.064 32.878 3.918 1.00 2.25 N ATOM 353 CA GLY A 24 -14.051 33.806 5.035 1.00 21.42 C ATOM 354 C GLY A 24 -14.124 33.099 6.375 1.00 42.11 C ATOM 355 O GLY A 24 -14.495 33.701 7.382 1.00 74.41 O ATOM 0 H GLY A 24 -14.886 32.276 3.869 1.00 2.25 H new ATOM 0 HA2 GLY A 24 -13.143 34.407 4.994 1.00 21.42 H new ATOM 0 HA3 GLY A 24 -14.893 34.493 4.943 1.00 21.42 H new ATOM 359 N GLY A 25 -13.770 31.818 6.388 1.00 64.41 N ATOM 360 CA GLY A 25 -13.806 31.050 7.618 1.00 25.12 C ATOM 361 C GLY A 25 -12.454 30.987 8.302 1.00 53.33 C ATOM 362 O GLY A 25 -11.478 31.561 7.818 1.00 33.01 O ATOM 0 H GLY A 25 -13.459 31.298 5.568 1.00 64.41 H new ATOM 0 HA2 GLY A 25 -14.534 31.493 8.298 1.00 25.12 H new ATOM 0 HA3 GLY A 25 -14.147 30.038 7.401 1.00 25.12 H new ATOM 366 N LYS A 26 -12.397 30.292 9.433 1.00 63.41 N ATOM 367 CA LYS A 26 -11.155 30.156 10.186 1.00 75.42 C ATOM 368 C LYS A 26 -10.756 28.689 10.316 1.00 70.10 C ATOM 369 O LYS A 26 -9.653 28.373 10.763 1.00 53.43 O ATOM 370 CB LYS A 26 -11.307 30.779 11.575 1.00 70.12 C ATOM 371 CG LYS A 26 -10.133 31.653 11.980 1.00 3.44 C ATOM 372 CD LYS A 26 -10.557 32.740 12.955 1.00 73.31 C ATOM 373 CE LYS A 26 -9.400 33.668 13.293 1.00 55.11 C ATOM 374 NZ LYS A 26 -9.730 34.574 14.427 1.00 15.01 N ATOM 0 H LYS A 26 -13.196 29.814 9.849 1.00 63.41 H new ATOM 0 HA LYS A 26 -10.370 30.681 9.643 1.00 75.42 H new ATOM 0 HB2 LYS A 26 -12.219 31.376 11.599 1.00 70.12 H new ATOM 0 HB3 LYS A 26 -11.428 29.983 12.310 1.00 70.12 H new ATOM 0 HG2 LYS A 26 -9.359 31.036 12.436 1.00 3.44 H new ATOM 0 HG3 LYS A 26 -9.695 32.110 11.092 1.00 3.44 H new ATOM 0 HD2 LYS A 26 -11.374 33.318 12.524 1.00 73.31 H new ATOM 0 HD3 LYS A 26 -10.937 32.283 13.869 1.00 73.31 H new ATOM 0 HE2 LYS A 26 -8.521 33.075 13.546 1.00 55.11 H new ATOM 0 HE3 LYS A 26 -9.143 34.262 12.416 1.00 55.11 H new ATOM 0 HZ1 LYS A 26 -8.917 35.190 14.627 1.00 15.01 H new ATOM 0 HZ2 LYS A 26 -10.554 35.158 14.177 1.00 15.01 H new ATOM 0 HZ3 LYS A 26 -9.951 34.008 15.271 1.00 15.01 H new ATOM 388 N LYS A 27 -11.658 27.797 9.921 1.00 44.11 N ATOM 389 CA LYS A 27 -11.399 26.364 9.991 1.00 63.12 C ATOM 390 C LYS A 27 -10.502 25.917 8.841 1.00 73.43 C ATOM 391 O LYS A 27 -10.952 25.800 7.701 1.00 22.12 O ATOM 392 CB LYS A 27 -12.716 25.585 9.957 1.00 3.12 C ATOM 393 CG LYS A 27 -12.617 24.196 10.565 1.00 64.12 C ATOM 394 CD LYS A 27 -13.991 23.604 10.827 1.00 23.41 C ATOM 395 CE LYS A 27 -13.948 22.083 10.839 1.00 15.34 C ATOM 396 NZ LYS A 27 -15.058 21.503 11.645 1.00 14.24 N ATOM 0 H LYS A 27 -12.576 28.042 9.549 1.00 44.11 H new ATOM 0 HA LYS A 27 -10.886 26.158 10.930 1.00 63.12 H new ATOM 0 HB2 LYS A 27 -13.478 26.153 10.491 1.00 3.12 H new ATOM 0 HB3 LYS A 27 -13.050 25.497 8.923 1.00 3.12 H new ATOM 0 HG2 LYS A 27 -12.060 23.543 9.893 1.00 64.12 H new ATOM 0 HG3 LYS A 27 -12.057 24.245 11.499 1.00 64.12 H new ATOM 0 HD2 LYS A 27 -14.368 23.966 11.783 1.00 23.41 H new ATOM 0 HD3 LYS A 27 -14.687 23.944 10.060 1.00 23.41 H new ATOM 0 HE2 LYS A 27 -14.008 21.710 9.817 1.00 15.34 H new ATOM 0 HE3 LYS A 27 -12.992 21.750 11.244 1.00 15.34 H new ATOM 0 HZ1 LYS A 27 -14.994 20.465 11.628 1.00 14.24 H new ATOM 0 HZ2 LYS A 27 -14.986 21.839 12.627 1.00 14.24 H new ATOM 0 HZ3 LYS A 27 -15.970 21.800 11.244 1.00 14.24 H new ATOM 410 N GLN A 28 -9.234 25.667 9.149 1.00 30.32 N ATOM 411 CA GLN A 28 -8.274 25.232 8.141 1.00 54.04 C ATOM 412 C GLN A 28 -8.457 23.752 7.819 1.00 42.21 C ATOM 413 O GLN A 28 -9.349 23.095 8.356 1.00 23.35 O ATOM 414 CB GLN A 28 -6.845 25.489 8.620 1.00 55.14 C ATOM 415 CG GLN A 28 -6.393 26.929 8.436 1.00 3.33 C ATOM 416 CD GLN A 28 -6.851 27.833 9.564 1.00 33.20 C ATOM 417 OE1 GLN A 28 -7.038 27.387 10.696 1.00 1.00 O ATOM 418 NE2 GLN A 28 -7.035 29.112 9.259 1.00 55.00 N ATOM 0 H GLN A 28 -8.847 25.758 10.088 1.00 30.32 H new ATOM 0 HA GLN A 28 -8.453 25.808 7.233 1.00 54.04 H new ATOM 0 HB2 GLN A 28 -6.771 25.225 9.675 1.00 55.14 H new ATOM 0 HB3 GLN A 28 -6.165 24.831 8.079 1.00 55.14 H new ATOM 0 HG2 GLN A 28 -5.305 26.959 8.370 1.00 3.33 H new ATOM 0 HG3 GLN A 28 -6.780 27.309 7.491 1.00 3.33 H new ATOM 0 HE21 GLN A 28 -6.868 29.438 8.307 1.00 55.00 H new ATOM 0 HE22 GLN A 28 -7.343 29.768 9.976 1.00 55.00 H new ATOM 427 N TYR A 29 -7.607 23.234 6.940 1.00 24.54 N ATOM 428 CA TYR A 29 -7.676 21.831 6.545 1.00 44.24 C ATOM 429 C TYR A 29 -6.863 20.958 7.495 1.00 33.34 C ATOM 430 O TYR A 29 -5.731 21.288 7.848 1.00 64.32 O ATOM 431 CB TYR A 29 -7.166 21.658 5.113 1.00 32.50 C ATOM 432 CG TYR A 29 -8.266 21.639 4.077 1.00 33.51 C ATOM 433 CD1 TYR A 29 -9.067 20.515 3.906 1.00 65.45 C ATOM 434 CD2 TYR A 29 -8.506 22.743 3.268 1.00 32.32 C ATOM 435 CE1 TYR A 29 -10.073 20.492 2.959 1.00 12.10 C ATOM 436 CE2 TYR A 29 -9.511 22.730 2.321 1.00 33.53 C ATOM 437 CZ TYR A 29 -10.291 21.602 2.170 1.00 33.14 C ATOM 438 OH TYR A 29 -11.293 21.585 1.226 1.00 30.31 O ATOM 0 H TYR A 29 -6.862 23.764 6.487 1.00 24.54 H new ATOM 0 HA TYR A 29 -8.718 21.516 6.593 1.00 44.24 H new ATOM 0 HB2 TYR A 29 -6.475 22.469 4.882 1.00 32.50 H new ATOM 0 HB3 TYR A 29 -6.601 20.728 5.047 1.00 32.50 H new ATOM 0 HD1 TYR A 29 -8.900 19.645 4.524 1.00 65.45 H new ATOM 0 HD2 TYR A 29 -7.896 23.627 3.382 1.00 32.32 H new ATOM 0 HE1 TYR A 29 -10.685 19.610 2.837 1.00 12.10 H new ATOM 0 HE2 TYR A 29 -9.685 23.598 1.702 1.00 33.53 H new ATOM 0 HH TYR A 29 -12.016 20.996 1.527 1.00 30.31 H new ATOM 448 N LYS A 30 -7.450 19.839 7.907 1.00 75.40 N ATOM 449 CA LYS A 30 -6.784 18.913 8.815 1.00 40.34 C ATOM 450 C LYS A 30 -6.908 17.476 8.317 1.00 41.45 C ATOM 451 O LYS A 30 -7.736 17.178 7.455 1.00 33.42 O ATOM 452 CB LYS A 30 -7.377 19.029 10.220 1.00 10.05 C ATOM 453 CG LYS A 30 -6.374 19.478 11.269 1.00 53.13 C ATOM 454 CD LYS A 30 -6.898 19.249 12.676 1.00 12.44 C ATOM 455 CE LYS A 30 -7.213 20.563 13.376 1.00 72.54 C ATOM 456 NZ LYS A 30 -8.232 20.391 14.447 1.00 21.15 N ATOM 0 H LYS A 30 -8.387 19.551 7.626 1.00 75.40 H new ATOM 0 HA LYS A 30 -5.727 19.176 8.850 1.00 40.34 H new ATOM 0 HB2 LYS A 30 -8.207 19.735 10.198 1.00 10.05 H new ATOM 0 HB3 LYS A 30 -7.788 18.063 10.513 1.00 10.05 H new ATOM 0 HG2 LYS A 30 -5.439 18.935 11.135 1.00 53.13 H new ATOM 0 HG3 LYS A 30 -6.151 20.536 11.131 1.00 53.13 H new ATOM 0 HD2 LYS A 30 -7.797 18.633 12.635 1.00 12.44 H new ATOM 0 HD3 LYS A 30 -6.159 18.696 13.255 1.00 12.44 H new ATOM 0 HE2 LYS A 30 -6.299 20.973 13.807 1.00 72.54 H new ATOM 0 HE3 LYS A 30 -7.573 21.287 12.645 1.00 72.54 H new ATOM 0 HZ1 LYS A 30 -8.419 21.309 14.899 1.00 21.15 H new ATOM 0 HZ2 LYS A 30 -9.112 20.024 14.033 1.00 21.15 H new ATOM 0 HZ3 LYS A 30 -7.878 19.720 15.158 1.00 21.15 H new ATOM 470 N LEU A 31 -6.080 16.593 8.862 1.00 34.21 N ATOM 471 CA LEU A 31 -6.099 15.186 8.474 1.00 62.15 C ATOM 472 C LEU A 31 -7.530 14.675 8.349 1.00 32.34 C ATOM 473 O LEU A 31 -7.853 13.915 7.436 1.00 62.54 O ATOM 474 CB LEU A 31 -5.331 14.345 9.494 1.00 10.24 C ATOM 475 CG LEU A 31 -3.853 14.693 9.675 1.00 61.21 C ATOM 476 CD1 LEU A 31 -3.293 14.016 10.917 1.00 52.10 C ATOM 477 CD2 LEU A 31 -3.056 14.292 8.442 1.00 44.11 C ATOM 0 H LEU A 31 -5.387 16.825 9.574 1.00 34.21 H new ATOM 0 HA LEU A 31 -5.615 15.096 7.501 1.00 62.15 H new ATOM 0 HB2 LEU A 31 -5.827 14.440 10.460 1.00 10.24 H new ATOM 0 HB3 LEU A 31 -5.404 13.298 9.200 1.00 10.24 H new ATOM 0 HG LEU A 31 -3.767 15.772 9.804 1.00 61.21 H new ATOM 0 HD11 LEU A 31 -2.240 14.275 11.029 1.00 52.10 H new ATOM 0 HD12 LEU A 31 -3.845 14.352 11.795 1.00 52.10 H new ATOM 0 HD13 LEU A 31 -3.392 12.935 10.818 1.00 52.10 H new ATOM 0 HD21 LEU A 31 -2.006 14.547 8.588 1.00 44.11 H new ATOM 0 HD22 LEU A 31 -3.149 13.218 8.282 1.00 44.11 H new ATOM 0 HD23 LEU A 31 -3.441 14.823 7.571 1.00 44.11 H new ATOM 489 N LYS A 32 -8.386 15.098 9.273 1.00 35.42 N ATOM 490 CA LYS A 32 -9.786 14.685 9.266 1.00 24.03 C ATOM 491 C LYS A 32 -10.328 14.627 7.842 1.00 33.12 C ATOM 492 O LYS A 32 -11.058 13.702 7.482 1.00 1.55 O ATOM 493 CB LYS A 32 -10.626 15.650 10.105 1.00 73.41 C ATOM 494 CG LYS A 32 -11.955 15.065 10.555 1.00 43.45 C ATOM 495 CD LYS A 32 -11.764 14.010 11.630 1.00 31.24 C ATOM 496 CE LYS A 32 -11.658 14.636 13.013 1.00 45.00 C ATOM 497 NZ LYS A 32 -12.095 13.696 14.082 1.00 13.12 N ATOM 0 H LYS A 32 -8.136 15.726 10.036 1.00 35.42 H new ATOM 0 HA LYS A 32 -9.848 13.687 9.700 1.00 24.03 H new ATOM 0 HB2 LYS A 32 -10.053 15.948 10.983 1.00 73.41 H new ATOM 0 HB3 LYS A 32 -10.814 16.554 9.525 1.00 73.41 H new ATOM 0 HG2 LYS A 32 -12.594 15.862 10.935 1.00 43.45 H new ATOM 0 HG3 LYS A 32 -12.468 14.626 9.700 1.00 43.45 H new ATOM 0 HD2 LYS A 32 -12.601 13.312 11.609 1.00 31.24 H new ATOM 0 HD3 LYS A 32 -10.863 13.434 11.420 1.00 31.24 H new ATOM 0 HE2 LYS A 32 -10.627 14.940 13.196 1.00 45.00 H new ATOM 0 HE3 LYS A 32 -12.268 15.538 13.051 1.00 45.00 H new ATOM 0 HZ1 LYS A 32 -12.008 14.160 15.009 1.00 13.12 H new ATOM 0 HZ2 LYS A 32 -13.086 13.425 13.922 1.00 13.12 H new ATOM 0 HZ3 LYS A 32 -11.496 12.846 14.063 1.00 13.12 H new ATOM 511 N HIS A 33 -9.968 15.620 7.035 1.00 24.51 N ATOM 512 CA HIS A 33 -10.417 15.680 5.648 1.00 11.43 C ATOM 513 C HIS A 33 -9.625 14.708 4.778 1.00 40.31 C ATOM 514 O HIS A 33 -10.251 14.064 3.937 1.00 35.23 O ATOM 515 CB HIS A 33 -10.273 17.103 5.105 1.00 74.41 C ATOM 516 CG HIS A 33 -10.840 18.151 6.012 1.00 31.35 C ATOM 517 ND1 HIS A 33 -10.072 19.130 6.604 1.00 64.04 N ATOM 518 CD2 HIS A 33 -12.109 18.369 6.429 1.00 35.42 C ATOM 519 CE1 HIS A 33 -10.843 19.906 7.344 1.00 74.50 C ATOM 520 NE2 HIS A 33 -12.085 19.464 7.255 1.00 43.13 N ATOM 0 H HIS A 33 -9.367 16.394 7.317 1.00 24.51 H new ATOM 0 HA HIS A 33 -11.468 15.392 5.619 1.00 11.43 H new ATOM 0 HB2 HIS A 33 -9.217 17.313 4.936 1.00 74.41 H new ATOM 0 HB3 HIS A 33 -10.769 17.165 4.137 1.00 74.41 H new ATOM 0 HD2 HIS A 33 -12.979 17.788 6.161 1.00 35.42 H new ATOM 0 HE1 HIS A 33 -10.514 20.756 7.923 1.00 74.50 H new ATOM 0 HE2 HIS A 33 -12.894 19.871 7.724 1.00 43.13 H new ATOM 528 N ILE A 34 -8.313 14.591 4.952 1.00 45.01 N ATOM 529 CA ILE A 34 -7.516 13.675 4.144 1.00 30.04 C ATOM 530 C ILE A 34 -7.936 12.228 4.378 1.00 31.22 C ATOM 531 O ILE A 34 -7.581 11.335 3.608 1.00 13.54 O ATOM 532 CB ILE A 34 -6.013 13.817 4.452 1.00 24.33 C ATOM 533 CG1 ILE A 34 -5.581 15.280 4.332 1.00 72.43 C ATOM 534 CG2 ILE A 34 -5.197 12.939 3.516 1.00 24.30 C ATOM 535 CD1 ILE A 34 -4.156 15.527 4.772 1.00 21.23 C ATOM 0 H ILE A 34 -7.780 15.118 5.644 1.00 45.01 H new ATOM 0 HA ILE A 34 -7.693 13.938 3.101 1.00 30.04 H new ATOM 0 HB ILE A 34 -5.834 13.489 5.476 1.00 24.33 H new ATOM 0 HG12 ILE A 34 -5.693 15.600 3.296 1.00 72.43 H new ATOM 0 HG13 ILE A 34 -6.250 15.898 4.931 1.00 72.43 H new ATOM 0 HG21 ILE A 34 -4.137 13.050 3.745 1.00 24.30 H new ATOM 0 HG22 ILE A 34 -5.490 11.897 3.647 1.00 24.30 H new ATOM 0 HG23 ILE A 34 -5.378 13.240 2.484 1.00 24.30 H new ATOM 0 HD11 ILE A 34 -3.919 16.585 4.660 1.00 21.23 H new ATOM 0 HD12 ILE A 34 -4.043 15.239 5.817 1.00 21.23 H new ATOM 0 HD13 ILE A 34 -3.478 14.936 4.157 1.00 21.23 H new ATOM 547 N VAL A 35 -8.698 12.003 5.444 1.00 12.33 N ATOM 548 CA VAL A 35 -9.171 10.665 5.778 1.00 73.23 C ATOM 549 C VAL A 35 -10.657 10.515 5.472 1.00 65.22 C ATOM 550 O VAL A 35 -11.111 9.448 5.057 1.00 12.24 O ATOM 551 CB VAL A 35 -8.928 10.339 7.264 1.00 61.44 C ATOM 552 CG1 VAL A 35 -9.386 8.923 7.580 1.00 33.30 C ATOM 553 CG2 VAL A 35 -7.460 10.523 7.616 1.00 2.32 C ATOM 0 H VAL A 35 -9.001 12.731 6.091 1.00 12.33 H new ATOM 0 HA VAL A 35 -8.604 9.966 5.163 1.00 73.23 H new ATOM 0 HB VAL A 35 -9.513 11.030 7.871 1.00 61.44 H new ATOM 0 HG11 VAL A 35 -9.207 8.709 8.634 1.00 33.30 H new ATOM 0 HG12 VAL A 35 -10.451 8.829 7.366 1.00 33.30 H new ATOM 0 HG13 VAL A 35 -8.829 8.215 6.967 1.00 33.30 H new ATOM 0 HG21 VAL A 35 -7.306 10.289 8.669 1.00 2.32 H new ATOM 0 HG22 VAL A 35 -6.853 9.857 7.003 1.00 2.32 H new ATOM 0 HG23 VAL A 35 -7.167 11.556 7.428 1.00 2.32 H new ATOM 563 N TRP A 36 -11.409 11.590 5.678 1.00 31.31 N ATOM 564 CA TRP A 36 -12.845 11.579 5.425 1.00 63.43 C ATOM 565 C TRP A 36 -13.133 11.412 3.936 1.00 22.41 C ATOM 566 O TRP A 36 -14.074 10.719 3.551 1.00 62.13 O ATOM 567 CB TRP A 36 -13.486 12.869 5.939 1.00 25.43 C ATOM 568 CG TRP A 36 -14.955 12.954 5.658 1.00 12.50 C ATOM 569 CD1 TRP A 36 -15.973 12.706 6.534 1.00 11.55 C ATOM 570 CD2 TRP A 36 -15.571 13.313 4.417 1.00 44.43 C ATOM 571 NE1 TRP A 36 -17.184 12.888 5.911 1.00 12.43 N ATOM 572 CE2 TRP A 36 -16.965 13.262 4.613 1.00 70.12 C ATOM 573 CE3 TRP A 36 -15.080 13.674 3.159 1.00 53.41 C ATOM 574 CZ2 TRP A 36 -17.870 13.557 3.596 1.00 1.12 C ATOM 575 CZ3 TRP A 36 -15.981 13.968 2.152 1.00 63.33 C ATOM 576 CH2 TRP A 36 -17.362 13.909 2.375 1.00 31.54 C ATOM 0 H TRP A 36 -11.048 12.481 6.020 1.00 31.31 H new ATOM 0 HA TRP A 36 -13.276 10.731 5.958 1.00 63.43 H new ATOM 0 HB2 TRP A 36 -13.324 12.944 7.014 1.00 25.43 H new ATOM 0 HB3 TRP A 36 -12.986 13.722 5.481 1.00 25.43 H new ATOM 0 HD1 TRP A 36 -15.845 12.410 7.565 1.00 11.55 H new ATOM 0 HE1 TRP A 36 -18.098 12.764 6.346 1.00 12.43 H new ATOM 0 HE3 TRP A 36 -14.017 13.722 2.977 1.00 53.41 H new ATOM 0 HZ2 TRP A 36 -18.936 13.510 3.765 1.00 1.12 H new ATOM 0 HZ3 TRP A 36 -15.613 14.248 1.176 1.00 63.33 H new ATOM 0 HH2 TRP A 36 -18.039 14.146 1.568 1.00 31.54 H new ATOM 587 N ALA A 37 -12.317 12.052 3.105 1.00 64.41 N ATOM 588 CA ALA A 37 -12.484 11.972 1.659 1.00 62.12 C ATOM 589 C ALA A 37 -12.203 10.562 1.151 1.00 21.24 C ATOM 590 O ALA A 37 -12.964 10.016 0.352 1.00 41.32 O ATOM 591 CB ALA A 37 -11.573 12.975 0.967 1.00 71.12 C ATOM 0 H ALA A 37 -11.534 12.631 3.408 1.00 64.41 H new ATOM 0 HA ALA A 37 -13.520 12.215 1.424 1.00 62.12 H new ATOM 0 HB1 ALA A 37 -11.708 12.905 -0.112 1.00 71.12 H new ATOM 0 HB2 ALA A 37 -11.823 13.983 1.299 1.00 71.12 H new ATOM 0 HB3 ALA A 37 -10.535 12.757 1.218 1.00 71.12 H new ATOM 597 N SER A 38 -11.106 9.976 1.620 1.00 0.20 N ATOM 598 CA SER A 38 -10.723 8.630 1.209 1.00 23.12 C ATOM 599 C SER A 38 -11.767 7.610 1.650 1.00 32.43 C ATOM 600 O SER A 38 -12.107 6.691 0.904 1.00 14.02 O ATOM 601 CB SER A 38 -9.357 8.265 1.794 1.00 51.34 C ATOM 602 OG SER A 38 -8.306 8.763 0.984 1.00 2.45 O ATOM 0 H SER A 38 -10.467 10.412 2.285 1.00 0.20 H new ATOM 0 HA SER A 38 -10.661 8.612 0.121 1.00 23.12 H new ATOM 0 HB2 SER A 38 -9.269 8.672 2.801 1.00 51.34 H new ATOM 0 HB3 SER A 38 -9.272 7.182 1.880 1.00 51.34 H new ATOM 0 HG SER A 38 -7.444 8.518 1.380 1.00 2.45 H new ATOM 608 N ARG A 39 -12.272 7.777 2.868 1.00 41.21 N ATOM 609 CA ARG A 39 -13.276 6.871 3.411 1.00 33.31 C ATOM 610 C ARG A 39 -14.592 6.997 2.648 1.00 3.31 C ATOM 611 O ARG A 39 -15.310 6.016 2.466 1.00 74.34 O ATOM 612 CB ARG A 39 -13.505 7.159 4.895 1.00 32.44 C ATOM 613 CG ARG A 39 -12.339 6.753 5.781 1.00 34.34 C ATOM 614 CD ARG A 39 -12.697 5.569 6.667 1.00 74.42 C ATOM 615 NE ARG A 39 -13.629 5.941 7.727 1.00 20.31 N ATOM 616 CZ ARG A 39 -13.259 6.533 8.857 1.00 52.30 C ATOM 617 NH1 ARG A 39 -11.983 6.820 9.071 1.00 3.11 N ATOM 618 NH2 ARG A 39 -14.167 6.840 9.775 1.00 44.01 N ATOM 0 H ARG A 39 -12.002 8.532 3.498 1.00 41.21 H new ATOM 0 HA ARG A 39 -12.907 5.851 3.299 1.00 33.31 H new ATOM 0 HB2 ARG A 39 -13.695 8.224 5.025 1.00 32.44 H new ATOM 0 HB3 ARG A 39 -14.401 6.633 5.224 1.00 32.44 H new ATOM 0 HG2 ARG A 39 -11.481 6.497 5.160 1.00 34.34 H new ATOM 0 HG3 ARG A 39 -12.042 7.597 6.403 1.00 34.34 H new ATOM 0 HD2 ARG A 39 -13.138 4.780 6.057 1.00 74.42 H new ATOM 0 HD3 ARG A 39 -11.789 5.160 7.110 1.00 74.42 H new ATOM 0 HE ARG A 39 -14.619 5.735 7.593 1.00 20.31 H new ATOM 0 HH11 ARG A 39 -11.283 6.586 8.367 1.00 3.11 H new ATOM 0 HH12 ARG A 39 -11.701 7.275 9.940 1.00 3.11 H new ATOM 0 HH21 ARG A 39 -15.150 6.621 9.613 1.00 44.01 H new ATOM 0 HH22 ARG A 39 -13.882 7.295 10.642 1.00 44.01 H new ATOM 632 N GLU A 40 -14.898 8.213 2.206 1.00 12.30 N ATOM 633 CA GLU A 40 -16.128 8.468 1.466 1.00 72.24 C ATOM 634 C GLU A 40 -16.024 7.936 0.039 1.00 60.25 C ATOM 635 O GLU A 40 -17.000 7.439 -0.524 1.00 63.22 O ATOM 636 CB GLU A 40 -16.435 9.967 1.441 1.00 23.34 C ATOM 637 CG GLU A 40 -17.911 10.289 1.596 1.00 52.31 C ATOM 638 CD GLU A 40 -18.405 10.089 3.016 1.00 75.10 C ATOM 639 OE1 GLU A 40 -17.994 9.098 3.654 1.00 50.11 O ATOM 640 OE2 GLU A 40 -19.205 10.924 3.488 1.00 14.11 O ATOM 0 H GLU A 40 -14.312 9.036 2.347 1.00 12.30 H new ATOM 0 HA GLU A 40 -16.940 7.947 1.973 1.00 72.24 H new ATOM 0 HB2 GLU A 40 -15.879 10.456 2.241 1.00 23.34 H new ATOM 0 HB3 GLU A 40 -16.077 10.387 0.501 1.00 23.34 H new ATOM 0 HG2 GLU A 40 -18.087 11.322 1.296 1.00 52.31 H new ATOM 0 HG3 GLU A 40 -18.490 9.658 0.922 1.00 52.31 H new ATOM 647 N LEU A 41 -14.833 8.046 -0.542 1.00 11.03 N ATOM 648 CA LEU A 41 -14.600 7.576 -1.902 1.00 51.22 C ATOM 649 C LEU A 41 -14.895 6.085 -2.023 1.00 22.13 C ATOM 650 O LEU A 41 -15.480 5.636 -3.008 1.00 61.14 O ATOM 651 CB LEU A 41 -13.155 7.857 -2.318 1.00 43.05 C ATOM 652 CG LEU A 41 -12.884 9.237 -2.918 1.00 15.50 C ATOM 653 CD1 LEU A 41 -11.409 9.396 -3.251 1.00 34.30 C ATOM 654 CD2 LEU A 41 -13.740 9.458 -4.157 1.00 11.42 C ATOM 0 H LEU A 41 -14.015 8.457 -0.092 1.00 11.03 H new ATOM 0 HA LEU A 41 -15.275 8.115 -2.566 1.00 51.22 H new ATOM 0 HB2 LEU A 41 -12.516 7.731 -1.444 1.00 43.05 H new ATOM 0 HB3 LEU A 41 -12.854 7.102 -3.044 1.00 43.05 H new ATOM 0 HG LEU A 41 -13.150 9.991 -2.178 1.00 15.50 H new ATOM 0 HD11 LEU A 41 -11.237 10.384 -3.677 1.00 34.30 H new ATOM 0 HD12 LEU A 41 -10.817 9.284 -2.343 1.00 34.30 H new ATOM 0 HD13 LEU A 41 -11.115 8.634 -3.972 1.00 34.30 H new ATOM 0 HD21 LEU A 41 -13.534 10.445 -4.570 1.00 11.42 H new ATOM 0 HD22 LEU A 41 -13.506 8.697 -4.901 1.00 11.42 H new ATOM 0 HD23 LEU A 41 -14.794 9.390 -3.888 1.00 11.42 H new ATOM 666 N GLU A 42 -14.488 5.323 -1.012 1.00 71.11 N ATOM 667 CA GLU A 42 -14.711 3.882 -1.005 1.00 21.00 C ATOM 668 C GLU A 42 -16.203 3.562 -1.003 1.00 54.34 C ATOM 669 O GLU A 42 -16.624 2.508 -1.482 1.00 42.23 O ATOM 670 CB GLU A 42 -14.041 3.245 0.214 1.00 43.41 C ATOM 671 CG GLU A 42 -12.969 2.229 -0.142 1.00 30.02 C ATOM 672 CD GLU A 42 -13.481 0.802 -0.098 1.00 23.14 C ATOM 673 OE1 GLU A 42 -14.380 0.469 -0.897 1.00 15.22 O ATOM 674 OE2 GLU A 42 -12.980 0.019 0.736 1.00 60.15 O ATOM 0 H GLU A 42 -14.003 5.679 -0.189 1.00 71.11 H new ATOM 0 HA GLU A 42 -14.269 3.468 -1.911 1.00 21.00 H new ATOM 0 HB2 GLU A 42 -13.597 4.030 0.825 1.00 43.41 H new ATOM 0 HB3 GLU A 42 -14.802 2.759 0.824 1.00 43.41 H new ATOM 0 HG2 GLU A 42 -12.587 2.444 -1.140 1.00 30.02 H new ATOM 0 HG3 GLU A 42 -12.132 2.332 0.548 1.00 30.02 H new ATOM 681 N ARG A 43 -16.998 4.478 -0.461 1.00 15.34 N ATOM 682 CA ARG A 43 -18.443 4.294 -0.395 1.00 12.33 C ATOM 683 C ARG A 43 -19.090 4.581 -1.746 1.00 33.43 C ATOM 684 O ARG A 43 -20.166 4.067 -2.053 1.00 33.30 O ATOM 685 CB ARG A 43 -19.046 5.205 0.676 1.00 43.41 C ATOM 686 CG ARG A 43 -20.483 4.862 1.029 1.00 14.32 C ATOM 687 CD ARG A 43 -20.914 5.530 2.326 1.00 1.20 C ATOM 688 NE ARG A 43 -20.071 5.134 3.451 1.00 41.34 N ATOM 689 CZ ARG A 43 -20.157 3.953 4.053 1.00 3.24 C ATOM 690 NH1 ARG A 43 -21.042 3.057 3.641 1.00 61.11 N ATOM 691 NH2 ARG A 43 -19.355 3.668 5.071 1.00 24.22 N ATOM 0 H ARG A 43 -16.666 5.356 -0.061 1.00 15.34 H new ATOM 0 HA ARG A 43 -18.640 3.255 -0.131 1.00 12.33 H new ATOM 0 HB2 ARG A 43 -18.435 5.146 1.577 1.00 43.41 H new ATOM 0 HB3 ARG A 43 -19.003 6.237 0.329 1.00 43.41 H new ATOM 0 HG2 ARG A 43 -21.142 5.177 0.220 1.00 14.32 H new ATOM 0 HG3 ARG A 43 -20.587 3.781 1.123 1.00 14.32 H new ATOM 0 HD2 ARG A 43 -20.875 6.613 2.207 1.00 1.20 H new ATOM 0 HD3 ARG A 43 -21.951 5.270 2.541 1.00 1.20 H new ATOM 0 HE ARG A 43 -19.379 5.800 3.793 1.00 41.34 H new ATOM 0 HH11 ARG A 43 -21.660 3.273 2.859 1.00 61.11 H new ATOM 0 HH12 ARG A 43 -21.105 2.151 4.106 1.00 61.11 H new ATOM 0 HH21 ARG A 43 -18.673 4.356 5.391 1.00 24.22 H new ATOM 0 HH22 ARG A 43 -19.421 2.761 5.534 1.00 24.22 H new ATOM 705 N PHE A 44 -18.428 5.406 -2.550 1.00 22.31 N ATOM 706 CA PHE A 44 -18.939 5.763 -3.869 1.00 22.33 C ATOM 707 C PHE A 44 -18.322 4.879 -4.949 1.00 11.12 C ATOM 708 O PHE A 44 -18.218 5.279 -6.108 1.00 32.51 O ATOM 709 CB PHE A 44 -18.649 7.234 -4.171 1.00 12.14 C ATOM 710 CG PHE A 44 -19.717 8.169 -3.681 1.00 50.31 C ATOM 711 CD1 PHE A 44 -20.040 8.230 -2.335 1.00 5.14 C ATOM 712 CD2 PHE A 44 -20.400 8.987 -4.566 1.00 32.31 C ATOM 713 CE1 PHE A 44 -21.022 9.088 -1.881 1.00 12.21 C ATOM 714 CE2 PHE A 44 -21.384 9.849 -4.118 1.00 61.53 C ATOM 715 CZ PHE A 44 -21.695 9.900 -2.773 1.00 63.43 C ATOM 0 H PHE A 44 -17.536 5.840 -2.312 1.00 22.31 H new ATOM 0 HA PHE A 44 -20.018 5.606 -3.868 1.00 22.33 H new ATOM 0 HB2 PHE A 44 -17.699 7.510 -3.714 1.00 12.14 H new ATOM 0 HB3 PHE A 44 -18.534 7.360 -5.248 1.00 12.14 H new ATOM 0 HD1 PHE A 44 -19.517 7.598 -1.632 1.00 5.14 H new ATOM 0 HD2 PHE A 44 -20.161 8.951 -5.619 1.00 32.31 H new ATOM 0 HE1 PHE A 44 -21.264 9.124 -0.829 1.00 12.21 H new ATOM 0 HE2 PHE A 44 -21.909 10.482 -4.819 1.00 61.53 H new ATOM 0 HZ PHE A 44 -22.462 10.573 -2.420 1.00 63.43 H new ATOM 725 N ALA A 45 -17.913 3.676 -4.558 1.00 61.55 N ATOM 726 CA ALA A 45 -17.308 2.734 -5.493 1.00 4.52 C ATOM 727 C ALA A 45 -16.013 3.294 -6.073 1.00 34.54 C ATOM 728 O ALA A 45 -15.624 2.953 -7.191 1.00 14.32 O ATOM 729 CB ALA A 45 -18.286 2.395 -6.608 1.00 25.00 C ATOM 0 H ALA A 45 -17.989 3.331 -3.601 1.00 61.55 H new ATOM 0 HA ALA A 45 -17.067 1.821 -4.948 1.00 4.52 H new ATOM 0 HB1 ALA A 45 -17.821 1.691 -7.298 1.00 25.00 H new ATOM 0 HB2 ALA A 45 -19.183 1.946 -6.181 1.00 25.00 H new ATOM 0 HB3 ALA A 45 -18.556 3.305 -7.144 1.00 25.00 H new ATOM 735 N VAL A 46 -15.349 4.153 -5.307 1.00 30.44 N ATOM 736 CA VAL A 46 -14.097 4.759 -5.746 1.00 34.23 C ATOM 737 C VAL A 46 -12.963 4.437 -4.779 1.00 13.31 C ATOM 738 O VAL A 46 -13.114 4.563 -3.565 1.00 11.13 O ATOM 739 CB VAL A 46 -14.229 6.288 -5.876 1.00 31.23 C ATOM 740 CG1 VAL A 46 -12.896 6.908 -6.267 1.00 33.35 C ATOM 741 CG2 VAL A 46 -15.309 6.645 -6.884 1.00 41.31 C ATOM 0 H VAL A 46 -15.657 4.445 -4.379 1.00 30.44 H new ATOM 0 HA VAL A 46 -13.867 4.338 -6.725 1.00 34.23 H new ATOM 0 HB VAL A 46 -14.520 6.694 -4.907 1.00 31.23 H new ATOM 0 HG11 VAL A 46 -13.009 7.989 -6.354 1.00 33.35 H new ATOM 0 HG12 VAL A 46 -12.151 6.681 -5.504 1.00 33.35 H new ATOM 0 HG13 VAL A 46 -12.571 6.499 -7.224 1.00 33.35 H new ATOM 0 HG21 VAL A 46 -15.389 7.729 -6.963 1.00 41.31 H new ATOM 0 HG22 VAL A 46 -15.050 6.228 -7.857 1.00 41.31 H new ATOM 0 HG23 VAL A 46 -16.264 6.234 -6.555 1.00 41.31 H new ATOM 751 N ASN A 47 -11.826 4.022 -5.327 1.00 42.00 N ATOM 752 CA ASN A 47 -10.664 3.683 -4.512 1.00 75.31 C ATOM 753 C ASN A 47 -10.054 4.932 -3.886 1.00 40.44 C ATOM 754 O ASN A 47 -9.889 5.965 -4.537 1.00 43.42 O ATOM 755 CB ASN A 47 -9.616 2.958 -5.359 1.00 43.42 C ATOM 756 CG ASN A 47 -10.133 1.650 -5.927 1.00 43.12 C ATOM 757 OD1 ASN A 47 -11.012 1.639 -6.788 1.00 55.33 O ATOM 758 ND2 ASN A 47 -9.588 0.540 -5.444 1.00 71.21 N ATOM 0 H ASN A 47 -11.684 3.912 -6.331 1.00 42.00 H new ATOM 0 HA ASN A 47 -10.994 3.022 -3.710 1.00 75.31 H new ATOM 0 HB2 ASN A 47 -9.302 3.607 -6.177 1.00 43.42 H new ATOM 0 HB3 ASN A 47 -8.733 2.763 -4.750 1.00 43.42 H new ATOM 0 HD21 ASN A 47 -9.896 -0.370 -5.787 1.00 71.21 H new ATOM 0 HD22 ASN A 47 -8.862 0.597 -4.730 1.00 71.21 H new ATOM 765 N PRO A 48 -9.709 4.839 -2.594 1.00 11.25 N ATOM 766 CA PRO A 48 -9.110 5.953 -1.852 1.00 14.12 C ATOM 767 C PRO A 48 -7.689 6.257 -2.310 1.00 0.43 C ATOM 768 O PRO A 48 -7.106 7.271 -1.928 1.00 32.50 O ATOM 769 CB PRO A 48 -9.111 5.456 -0.404 1.00 72.32 C ATOM 770 CG PRO A 48 -9.098 3.970 -0.514 1.00 42.10 C ATOM 771 CD PRO A 48 -9.877 3.640 -1.757 1.00 13.14 C ATOM 0 HA PRO A 48 -9.660 6.883 -1.998 1.00 14.12 H new ATOM 0 HB2 PRO A 48 -8.240 5.820 0.140 1.00 72.32 H new ATOM 0 HB3 PRO A 48 -9.992 5.806 0.134 1.00 72.32 H new ATOM 0 HG2 PRO A 48 -8.078 3.593 -0.581 1.00 42.10 H new ATOM 0 HG3 PRO A 48 -9.551 3.510 0.364 1.00 42.10 H new ATOM 0 HD2 PRO A 48 -9.489 2.749 -2.250 1.00 13.14 H new ATOM 0 HD3 PRO A 48 -10.927 3.449 -1.534 1.00 13.14 H new ATOM 779 N GLY A 49 -7.134 5.371 -3.132 1.00 52.24 N ATOM 780 CA GLY A 49 -5.785 5.563 -3.630 1.00 3.54 C ATOM 781 C GLY A 49 -5.722 6.566 -4.764 1.00 1.40 C ATOM 782 O GLY A 49 -4.656 7.104 -5.069 1.00 41.13 O ATOM 0 H GLY A 49 -7.595 4.523 -3.462 1.00 52.24 H new ATOM 0 HA2 GLY A 49 -5.145 5.901 -2.815 1.00 3.54 H new ATOM 0 HA3 GLY A 49 -5.388 4.607 -3.972 1.00 3.54 H new ATOM 786 N LEU A 50 -6.865 6.820 -5.391 1.00 3.44 N ATOM 787 CA LEU A 50 -6.935 7.766 -6.500 1.00 74.22 C ATOM 788 C LEU A 50 -6.482 9.154 -6.061 1.00 50.25 C ATOM 789 O LEU A 50 -5.972 9.935 -6.866 1.00 4.23 O ATOM 790 CB LEU A 50 -8.362 7.832 -7.048 1.00 41.34 C ATOM 791 CG LEU A 50 -8.901 6.545 -7.675 1.00 14.41 C ATOM 792 CD1 LEU A 50 -10.327 6.748 -8.165 1.00 24.54 C ATOM 793 CD2 LEU A 50 -8.002 6.090 -8.814 1.00 73.43 C ATOM 0 H LEU A 50 -7.756 6.385 -5.151 1.00 3.44 H new ATOM 0 HA LEU A 50 -6.265 7.418 -7.286 1.00 74.22 H new ATOM 0 HB2 LEU A 50 -9.028 8.124 -6.236 1.00 41.34 H new ATOM 0 HB3 LEU A 50 -8.406 8.623 -7.796 1.00 41.34 H new ATOM 0 HG LEU A 50 -8.908 5.766 -6.913 1.00 14.41 H new ATOM 0 HD11 LEU A 50 -10.695 5.823 -8.608 1.00 24.54 H new ATOM 0 HD12 LEU A 50 -10.964 7.026 -7.326 1.00 24.54 H new ATOM 0 HD13 LEU A 50 -10.345 7.541 -8.913 1.00 24.54 H new ATOM 0 HD21 LEU A 50 -8.401 5.173 -9.248 1.00 73.43 H new ATOM 0 HD22 LEU A 50 -7.962 6.866 -9.578 1.00 73.43 H new ATOM 0 HD23 LEU A 50 -6.998 5.904 -8.433 1.00 73.43 H new ATOM 805 N LEU A 51 -6.669 9.456 -4.781 1.00 62.44 N ATOM 806 CA LEU A 51 -6.276 10.750 -4.234 1.00 72.21 C ATOM 807 C LEU A 51 -4.783 10.780 -3.924 1.00 74.24 C ATOM 808 O LEU A 51 -4.242 11.812 -3.532 1.00 4.33 O ATOM 809 CB LEU A 51 -7.078 11.055 -2.968 1.00 34.50 C ATOM 810 CG LEU A 51 -8.599 10.973 -3.101 1.00 50.23 C ATOM 811 CD1 LEU A 51 -9.267 11.232 -1.760 1.00 11.42 C ATOM 812 CD2 LEU A 51 -9.097 11.961 -4.146 1.00 73.41 C ATOM 0 H LEU A 51 -7.091 8.822 -4.102 1.00 62.44 H new ATOM 0 HA LEU A 51 -6.487 11.513 -4.983 1.00 72.21 H new ATOM 0 HB2 LEU A 51 -6.764 10.362 -2.187 1.00 34.50 H new ATOM 0 HB3 LEU A 51 -6.816 12.057 -2.629 1.00 34.50 H new ATOM 0 HG LEU A 51 -8.862 9.967 -3.426 1.00 50.23 H new ATOM 0 HD11 LEU A 51 -10.349 11.170 -1.874 1.00 11.42 H new ATOM 0 HD12 LEU A 51 -8.935 10.486 -1.038 1.00 11.42 H new ATOM 0 HD13 LEU A 51 -8.997 12.226 -1.405 1.00 11.42 H new ATOM 0 HD21 LEU A 51 -10.182 11.889 -4.227 1.00 73.41 H new ATOM 0 HD22 LEU A 51 -8.822 12.973 -3.850 1.00 73.41 H new ATOM 0 HD23 LEU A 51 -8.645 11.729 -5.110 1.00 73.41 H new ATOM 824 N GLU A 52 -4.123 9.640 -4.105 1.00 32.23 N ATOM 825 CA GLU A 52 -2.692 9.537 -3.845 1.00 61.54 C ATOM 826 C GLU A 52 -1.890 10.242 -4.934 1.00 44.41 C ATOM 827 O GLU A 52 -0.795 10.748 -4.687 1.00 3.35 O ATOM 828 CB GLU A 52 -2.272 8.069 -3.758 1.00 25.45 C ATOM 829 CG GLU A 52 -0.832 7.873 -3.312 1.00 34.34 C ATOM 830 CD GLU A 52 -0.548 6.454 -2.858 1.00 55.31 C ATOM 831 OE1 GLU A 52 -1.347 5.914 -2.064 1.00 31.11 O ATOM 832 OE2 GLU A 52 0.471 5.884 -3.298 1.00 71.33 O ATOM 0 H GLU A 52 -4.556 8.776 -4.430 1.00 32.23 H new ATOM 0 HA GLU A 52 -2.486 10.024 -2.892 1.00 61.54 H new ATOM 0 HB2 GLU A 52 -2.933 7.551 -3.062 1.00 25.45 H new ATOM 0 HB3 GLU A 52 -2.408 7.602 -4.734 1.00 25.45 H new ATOM 0 HG2 GLU A 52 -0.163 8.128 -4.134 1.00 34.34 H new ATOM 0 HG3 GLU A 52 -0.611 8.562 -2.497 1.00 34.34 H new ATOM 839 N THR A 53 -2.442 10.272 -6.143 1.00 61.14 N ATOM 840 CA THR A 53 -1.778 10.914 -7.272 1.00 20.14 C ATOM 841 C THR A 53 -2.650 12.011 -7.871 1.00 1.14 C ATOM 842 O THR A 53 -3.847 11.820 -8.081 1.00 1.24 O ATOM 843 CB THR A 53 -1.428 9.894 -8.372 1.00 30.15 C ATOM 844 OG1 THR A 53 -2.503 9.800 -9.312 1.00 63.52 O ATOM 845 CG2 THR A 53 -1.151 8.524 -7.770 1.00 60.32 C ATOM 0 H THR A 53 -3.348 9.859 -6.366 1.00 61.14 H new ATOM 0 HA THR A 53 -0.857 11.354 -6.889 1.00 20.14 H new ATOM 0 HB THR A 53 -0.529 10.237 -8.883 1.00 30.15 H new ATOM 0 HG1 THR A 53 -2.272 9.151 -10.009 1.00 63.52 H new ATOM 0 HG21 THR A 53 -0.906 7.820 -8.565 1.00 60.32 H new ATOM 0 HG22 THR A 53 -0.313 8.594 -7.076 1.00 60.32 H new ATOM 0 HG23 THR A 53 -2.035 8.175 -7.236 1.00 60.32 H new ATOM 853 N SER A 54 -2.041 13.160 -8.145 1.00 2.22 N ATOM 854 CA SER A 54 -2.763 14.290 -8.718 1.00 32.11 C ATOM 855 C SER A 54 -3.608 13.848 -9.908 1.00 33.51 C ATOM 856 O SER A 54 -4.760 14.257 -10.051 1.00 23.41 O ATOM 857 CB SER A 54 -1.783 15.382 -9.151 1.00 74.11 C ATOM 858 OG SER A 54 -1.522 15.310 -10.543 1.00 22.14 O ATOM 0 H SER A 54 -1.050 13.333 -7.980 1.00 2.22 H new ATOM 0 HA SER A 54 -3.427 14.691 -7.952 1.00 32.11 H new ATOM 0 HB2 SER A 54 -2.193 16.362 -8.905 1.00 74.11 H new ATOM 0 HB3 SER A 54 -0.850 15.278 -8.597 1.00 74.11 H new ATOM 0 HG SER A 54 -0.894 16.019 -10.795 1.00 22.14 H new ATOM 864 N GLU A 55 -3.026 13.009 -10.760 1.00 42.23 N ATOM 865 CA GLU A 55 -3.725 12.512 -11.939 1.00 22.14 C ATOM 866 C GLU A 55 -5.061 11.881 -11.554 1.00 42.13 C ATOM 867 O GLU A 55 -6.075 12.098 -12.215 1.00 63.22 O ATOM 868 CB GLU A 55 -2.861 11.488 -12.678 1.00 42.11 C ATOM 869 CG GLU A 55 -2.249 12.021 -13.963 1.00 15.31 C ATOM 870 CD GLU A 55 -2.207 10.981 -15.064 1.00 74.31 C ATOM 871 OE1 GLU A 55 -1.355 10.070 -14.987 1.00 35.13 O ATOM 872 OE2 GLU A 55 -3.024 11.076 -16.004 1.00 33.22 O ATOM 0 H GLU A 55 -2.073 12.660 -10.656 1.00 42.23 H new ATOM 0 HA GLU A 55 -3.918 13.358 -12.598 1.00 22.14 H new ATOM 0 HB2 GLU A 55 -2.062 11.155 -12.016 1.00 42.11 H new ATOM 0 HB3 GLU A 55 -3.468 10.613 -12.910 1.00 42.11 H new ATOM 0 HG2 GLU A 55 -2.823 12.883 -14.304 1.00 15.31 H new ATOM 0 HG3 GLU A 55 -1.237 12.372 -13.761 1.00 15.31 H new ATOM 879 N GLY A 56 -5.052 11.099 -10.479 1.00 5.44 N ATOM 880 CA GLY A 56 -6.267 10.450 -10.024 1.00 32.23 C ATOM 881 C GLY A 56 -7.397 11.432 -9.788 1.00 11.10 C ATOM 882 O GLY A 56 -8.522 11.214 -10.237 1.00 52.23 O ATOM 0 H GLY A 56 -4.225 10.903 -9.915 1.00 5.44 H new ATOM 0 HA2 GLY A 56 -6.580 9.712 -10.763 1.00 32.23 H new ATOM 0 HA3 GLY A 56 -6.062 9.909 -9.100 1.00 32.23 H new ATOM 886 N CYS A 57 -7.098 12.516 -9.079 1.00 64.44 N ATOM 887 CA CYS A 57 -8.098 13.534 -8.783 1.00 15.33 C ATOM 888 C CYS A 57 -8.643 14.153 -10.066 1.00 74.41 C ATOM 889 O CYS A 57 -9.831 14.460 -10.163 1.00 11.41 O ATOM 890 CB CYS A 57 -7.497 14.624 -7.893 1.00 55.11 C ATOM 891 SG CYS A 57 -7.573 14.257 -6.124 1.00 64.14 S ATOM 0 H CYS A 57 -6.172 12.711 -8.699 1.00 64.44 H new ATOM 0 HA CYS A 57 -8.922 13.055 -8.255 1.00 15.33 H new ATOM 0 HB2 CYS A 57 -6.456 14.777 -8.177 1.00 55.11 H new ATOM 0 HB3 CYS A 57 -8.020 15.562 -8.082 1.00 55.11 H new ATOM 0 HG CYS A 57 -7.039 15.235 -5.455 1.00 64.14 H new ATOM 897 N ARG A 58 -7.767 14.332 -11.049 1.00 34.11 N ATOM 898 CA ARG A 58 -8.160 14.916 -12.326 1.00 71.41 C ATOM 899 C ARG A 58 -9.337 14.156 -12.932 1.00 32.01 C ATOM 900 O ARG A 58 -10.172 14.738 -13.623 1.00 13.21 O ATOM 901 CB ARG A 58 -6.980 14.908 -13.299 1.00 3.31 C ATOM 902 CG ARG A 58 -7.121 15.908 -14.435 1.00 24.11 C ATOM 903 CD ARG A 58 -5.784 16.541 -14.789 1.00 21.13 C ATOM 904 NE ARG A 58 -5.536 16.527 -16.229 1.00 22.14 N ATOM 905 CZ ARG A 58 -4.585 17.243 -16.817 1.00 2.34 C ATOM 906 NH1 ARG A 58 -3.796 18.026 -16.093 1.00 60.14 N ATOM 907 NH2 ARG A 58 -4.420 17.176 -18.132 1.00 1.04 N ATOM 0 H ARG A 58 -6.780 14.081 -10.986 1.00 34.11 H new ATOM 0 HA ARG A 58 -8.468 15.946 -12.147 1.00 71.41 H new ATOM 0 HB2 ARG A 58 -6.064 15.123 -12.748 1.00 3.31 H new ATOM 0 HB3 ARG A 58 -6.872 13.908 -13.718 1.00 3.31 H new ATOM 0 HG2 ARG A 58 -7.532 15.408 -15.312 1.00 24.11 H new ATOM 0 HG3 ARG A 58 -7.829 16.686 -14.150 1.00 24.11 H new ATOM 0 HD2 ARG A 58 -5.763 17.569 -14.427 1.00 21.13 H new ATOM 0 HD3 ARG A 58 -4.983 16.007 -14.278 1.00 21.13 H new ATOM 0 HE ARG A 58 -6.125 15.935 -16.814 1.00 22.14 H new ATOM 0 HH11 ARG A 58 -3.919 18.079 -15.082 1.00 60.14 H new ATOM 0 HH12 ARG A 58 -3.066 18.575 -16.547 1.00 60.14 H new ATOM 0 HH21 ARG A 58 -5.024 16.574 -18.692 1.00 1.04 H new ATOM 0 HH22 ARG A 58 -3.689 17.726 -18.583 1.00 1.04 H new ATOM 921 N GLN A 59 -9.394 12.854 -12.667 1.00 54.51 N ATOM 922 CA GLN A 59 -10.468 12.017 -13.187 1.00 21.51 C ATOM 923 C GLN A 59 -11.688 12.065 -12.273 1.00 42.01 C ATOM 924 O GLN A 59 -12.820 11.890 -12.724 1.00 10.41 O ATOM 925 CB GLN A 59 -9.988 10.572 -13.341 1.00 41.11 C ATOM 926 CG GLN A 59 -10.425 9.921 -14.642 1.00 64.44 C ATOM 927 CD GLN A 59 -9.273 9.276 -15.388 1.00 34.25 C ATOM 928 OE1 GLN A 59 -8.277 9.929 -15.701 1.00 74.24 O ATOM 929 NE2 GLN A 59 -9.403 7.986 -15.677 1.00 42.32 N ATOM 0 H GLN A 59 -8.710 12.357 -12.096 1.00 54.51 H new ATOM 0 HA GLN A 59 -10.754 12.404 -14.165 1.00 21.51 H new ATOM 0 HB2 GLN A 59 -8.900 10.551 -13.282 1.00 41.11 H new ATOM 0 HB3 GLN A 59 -10.364 9.982 -12.505 1.00 41.11 H new ATOM 0 HG2 GLN A 59 -11.183 9.167 -14.430 1.00 64.44 H new ATOM 0 HG3 GLN A 59 -10.892 10.671 -15.280 1.00 64.44 H new ATOM 0 HE21 GLN A 59 -10.246 7.483 -15.398 1.00 42.32 H new ATOM 0 HE22 GLN A 59 -8.660 7.498 -16.177 1.00 42.32 H new ATOM 938 N ILE A 60 -11.449 12.303 -10.988 1.00 5.01 N ATOM 939 CA ILE A 60 -12.528 12.374 -10.011 1.00 40.34 C ATOM 940 C ILE A 60 -13.337 13.657 -10.178 1.00 45.31 C ATOM 941 O ILE A 60 -14.568 13.631 -10.190 1.00 64.22 O ATOM 942 CB ILE A 60 -11.989 12.305 -8.571 1.00 33.23 C ATOM 943 CG1 ILE A 60 -11.162 11.033 -8.374 1.00 22.15 C ATOM 944 CG2 ILE A 60 -13.137 12.355 -7.572 1.00 44.41 C ATOM 945 CD1 ILE A 60 -10.232 11.095 -7.182 1.00 11.13 C ATOM 0 H ILE A 60 -10.518 12.450 -10.599 1.00 5.01 H new ATOM 0 HA ILE A 60 -13.173 11.514 -10.190 1.00 40.34 H new ATOM 0 HB ILE A 60 -11.344 13.167 -8.399 1.00 33.23 H new ATOM 0 HG12 ILE A 60 -11.837 10.186 -8.254 1.00 22.15 H new ATOM 0 HG13 ILE A 60 -10.575 10.848 -9.273 1.00 22.15 H new ATOM 0 HG21 ILE A 60 -12.740 12.305 -6.558 1.00 44.41 H new ATOM 0 HG22 ILE A 60 -13.690 13.286 -7.700 1.00 44.41 H new ATOM 0 HG23 ILE A 60 -13.804 11.510 -7.742 1.00 44.41 H new ATOM 0 HD11 ILE A 60 -9.678 10.160 -7.104 1.00 11.13 H new ATOM 0 HD12 ILE A 60 -9.533 11.922 -7.309 1.00 11.13 H new ATOM 0 HD13 ILE A 60 -10.815 11.248 -6.274 1.00 11.13 H new ATOM 957 N LEU A 61 -12.635 14.778 -10.309 1.00 11.03 N ATOM 958 CA LEU A 61 -13.287 16.073 -10.477 1.00 61.33 C ATOM 959 C LEU A 61 -14.122 16.100 -11.753 1.00 72.40 C ATOM 960 O LEU A 61 -15.258 16.572 -11.755 1.00 33.24 O ATOM 961 CB LEU A 61 -12.243 17.190 -10.512 1.00 50.43 C ATOM 962 CG LEU A 61 -11.463 17.421 -9.218 1.00 40.24 C ATOM 963 CD1 LEU A 61 -10.187 18.200 -9.496 1.00 24.30 C ATOM 964 CD2 LEU A 61 -12.324 18.152 -8.198 1.00 73.12 C ATOM 0 H LEU A 61 -11.616 14.816 -10.302 1.00 11.03 H new ATOM 0 HA LEU A 61 -13.951 16.232 -9.627 1.00 61.33 H new ATOM 0 HB2 LEU A 61 -11.531 16.970 -11.307 1.00 50.43 H new ATOM 0 HB3 LEU A 61 -12.744 18.120 -10.781 1.00 50.43 H new ATOM 0 HG LEU A 61 -11.190 16.451 -8.804 1.00 40.24 H new ATOM 0 HD11 LEU A 61 -9.645 18.355 -8.563 1.00 24.30 H new ATOM 0 HD12 LEU A 61 -9.562 17.638 -10.190 1.00 24.30 H new ATOM 0 HD13 LEU A 61 -10.439 19.166 -9.934 1.00 24.30 H new ATOM 0 HD21 LEU A 61 -11.752 18.307 -7.283 1.00 73.12 H new ATOM 0 HD22 LEU A 61 -12.629 19.117 -8.604 1.00 73.12 H new ATOM 0 HD23 LEU A 61 -13.209 17.556 -7.975 1.00 73.12 H new ATOM 976 N GLY A 62 -13.550 15.588 -12.840 1.00 32.14 N ATOM 977 CA GLY A 62 -14.257 15.561 -14.107 1.00 64.22 C ATOM 978 C GLY A 62 -15.489 14.679 -14.066 1.00 2.04 C ATOM 979 O GLY A 62 -16.330 14.737 -14.962 1.00 32.13 O ATOM 0 H GLY A 62 -12.610 15.192 -12.865 1.00 32.14 H new ATOM 0 HA2 GLY A 62 -14.549 16.576 -14.378 1.00 64.22 H new ATOM 0 HA3 GLY A 62 -13.584 15.204 -14.887 1.00 64.22 H new ATOM 983 N GLN A 63 -15.594 13.861 -13.024 1.00 34.42 N ATOM 984 CA GLN A 63 -16.732 12.962 -12.872 1.00 30.43 C ATOM 985 C GLN A 63 -17.817 13.597 -12.008 1.00 3.02 C ATOM 986 O GLN A 63 -18.994 13.596 -12.371 1.00 5.23 O ATOM 987 CB GLN A 63 -16.283 11.636 -12.253 1.00 45.34 C ATOM 988 CG GLN A 63 -16.091 10.524 -13.272 1.00 23.22 C ATOM 989 CD GLN A 63 -15.520 9.262 -12.657 1.00 30.53 C ATOM 990 OE1 GLN A 63 -14.592 9.315 -11.848 1.00 14.20 O ATOM 991 NE2 GLN A 63 -16.073 8.115 -13.036 1.00 41.45 N ATOM 0 H GLN A 63 -14.906 13.802 -12.273 1.00 34.42 H new ATOM 0 HA GLN A 63 -17.146 12.772 -13.862 1.00 30.43 H new ATOM 0 HB2 GLN A 63 -15.347 11.793 -11.718 1.00 45.34 H new ATOM 0 HB3 GLN A 63 -17.022 11.319 -11.517 1.00 45.34 H new ATOM 0 HG2 GLN A 63 -17.049 10.295 -13.739 1.00 23.22 H new ATOM 0 HG3 GLN A 63 -15.426 10.872 -14.063 1.00 23.22 H new ATOM 0 HE21 GLN A 63 -16.840 8.116 -13.709 1.00 41.45 H new ATOM 0 HE22 GLN A 63 -15.731 7.233 -12.654 1.00 41.45 H new ATOM 1000 N LEU A 64 -17.412 14.138 -10.864 1.00 14.24 N ATOM 1001 CA LEU A 64 -18.350 14.778 -9.948 1.00 34.24 C ATOM 1002 C LEU A 64 -18.805 16.129 -10.489 1.00 14.24 C ATOM 1003 O LEU A 64 -19.940 16.550 -10.261 1.00 62.41 O ATOM 1004 CB LEU A 64 -17.707 14.957 -8.571 1.00 52.22 C ATOM 1005 CG LEU A 64 -17.074 13.707 -7.959 1.00 10.33 C ATOM 1006 CD1 LEU A 64 -16.245 14.073 -6.737 1.00 32.33 C ATOM 1007 CD2 LEU A 64 -18.146 12.690 -7.594 1.00 4.22 C ATOM 0 H LEU A 64 -16.442 14.146 -10.549 1.00 14.24 H new ATOM 0 HA LEU A 64 -19.224 14.133 -9.853 1.00 34.24 H new ATOM 0 HB2 LEU A 64 -16.940 15.728 -8.648 1.00 52.22 H new ATOM 0 HB3 LEU A 64 -18.466 15.330 -7.883 1.00 52.22 H new ATOM 0 HG LEU A 64 -16.413 13.257 -8.700 1.00 10.33 H new ATOM 0 HD11 LEU A 64 -15.802 13.171 -6.314 1.00 32.33 H new ATOM 0 HD12 LEU A 64 -15.454 14.764 -7.028 1.00 32.33 H new ATOM 0 HD13 LEU A 64 -16.884 14.546 -5.992 1.00 32.33 H new ATOM 0 HD21 LEU A 64 -17.677 11.807 -7.160 1.00 4.22 H new ATOM 0 HD22 LEU A 64 -18.833 13.129 -6.870 1.00 4.22 H new ATOM 0 HD23 LEU A 64 -18.697 12.405 -8.490 1.00 4.22 H new ATOM 1019 N GLN A 65 -17.914 16.803 -11.207 1.00 41.53 N ATOM 1020 CA GLN A 65 -18.224 18.107 -11.781 1.00 73.43 C ATOM 1021 C GLN A 65 -19.581 18.085 -12.478 1.00 13.24 C ATOM 1022 O GLN A 65 -20.498 18.828 -12.126 1.00 10.41 O ATOM 1023 CB GLN A 65 -17.136 18.524 -12.773 1.00 71.34 C ATOM 1024 CG GLN A 65 -17.635 19.452 -13.869 1.00 63.02 C ATOM 1025 CD GLN A 65 -18.351 20.670 -13.320 1.00 42.32 C ATOM 1026 OE1 GLN A 65 -18.155 21.053 -12.166 1.00 42.14 O ATOM 1027 NE2 GLN A 65 -19.186 21.288 -14.147 1.00 13.30 N ATOM 0 H GLN A 65 -16.971 16.468 -11.406 1.00 41.53 H new ATOM 0 HA GLN A 65 -18.263 18.833 -10.969 1.00 73.43 H new ATOM 0 HB2 GLN A 65 -16.330 19.018 -12.230 1.00 71.34 H new ATOM 0 HB3 GLN A 65 -16.711 17.630 -13.230 1.00 71.34 H new ATOM 0 HG2 GLN A 65 -16.791 19.775 -14.478 1.00 63.02 H new ATOM 0 HG3 GLN A 65 -18.310 18.903 -14.525 1.00 63.02 H new ATOM 0 HE21 GLN A 65 -19.318 20.936 -15.095 1.00 13.30 H new ATOM 0 HE22 GLN A 65 -19.695 22.115 -13.834 1.00 13.30 H new ATOM 1036 N PRO A 66 -19.715 17.214 -13.489 1.00 2.44 N ATOM 1037 CA PRO A 66 -20.957 17.075 -14.255 1.00 30.55 C ATOM 1038 C PRO A 66 -22.077 16.444 -13.434 1.00 42.13 C ATOM 1039 O PRO A 66 -23.224 16.385 -13.875 1.00 35.43 O ATOM 1040 CB PRO A 66 -20.559 16.156 -15.411 1.00 65.43 C ATOM 1041 CG PRO A 66 -19.399 15.376 -14.894 1.00 62.13 C ATOM 1042 CD PRO A 66 -18.664 16.297 -13.961 1.00 42.51 C ATOM 0 HA PRO A 66 -21.349 18.040 -14.575 1.00 30.55 H new ATOM 0 HB2 PRO A 66 -21.381 15.500 -15.696 1.00 65.43 H new ATOM 0 HB3 PRO A 66 -20.287 16.730 -16.297 1.00 65.43 H new ATOM 0 HG2 PRO A 66 -19.733 14.478 -14.374 1.00 62.13 H new ATOM 0 HG3 PRO A 66 -18.753 15.050 -15.709 1.00 62.13 H new ATOM 0 HD2 PRO A 66 -18.206 15.752 -13.136 1.00 42.51 H new ATOM 0 HD3 PRO A 66 -17.864 16.832 -14.472 1.00 42.51 H new ATOM 1050 N SER A 67 -21.735 15.973 -12.239 1.00 11.54 N ATOM 1051 CA SER A 67 -22.712 15.344 -11.357 1.00 4.41 C ATOM 1052 C SER A 67 -23.080 16.272 -10.203 1.00 23.21 C ATOM 1053 O SER A 67 -23.860 15.907 -9.323 1.00 10.24 O ATOM 1054 CB SER A 67 -22.161 14.026 -10.811 1.00 35.24 C ATOM 1055 OG SER A 67 -23.206 13.196 -10.332 1.00 61.02 O ATOM 0 H SER A 67 -20.789 16.015 -11.859 1.00 11.54 H new ATOM 0 HA SER A 67 -23.612 15.141 -11.937 1.00 4.41 H new ATOM 0 HB2 SER A 67 -21.610 13.506 -11.595 1.00 35.24 H new ATOM 0 HB3 SER A 67 -21.455 14.229 -10.006 1.00 35.24 H new ATOM 0 HG SER A 67 -23.872 13.744 -9.866 1.00 61.02 H new ATOM 1061 N LEU A 68 -22.513 17.473 -10.214 1.00 44.20 N ATOM 1062 CA LEU A 68 -22.779 18.455 -9.169 1.00 74.32 C ATOM 1063 C LEU A 68 -24.260 18.819 -9.130 1.00 31.01 C ATOM 1064 O LEU A 68 -24.755 19.337 -8.129 1.00 70.54 O ATOM 1065 CB LEU A 68 -21.939 19.713 -9.396 1.00 64.54 C ATOM 1066 CG LEU A 68 -20.528 19.692 -8.807 1.00 63.11 C ATOM 1067 CD1 LEU A 68 -19.665 20.765 -9.452 1.00 63.53 C ATOM 1068 CD2 LEU A 68 -20.577 19.881 -7.298 1.00 50.21 C ATOM 0 H LEU A 68 -21.866 17.790 -10.936 1.00 44.20 H new ATOM 0 HA LEU A 68 -22.506 18.012 -8.211 1.00 74.32 H new ATOM 0 HB2 LEU A 68 -21.861 19.885 -10.470 1.00 64.54 H new ATOM 0 HB3 LEU A 68 -22.474 20.564 -8.975 1.00 64.54 H new ATOM 0 HG LEU A 68 -20.082 18.720 -9.017 1.00 63.11 H new ATOM 0 HD11 LEU A 68 -18.664 20.735 -9.021 1.00 63.53 H new ATOM 0 HD12 LEU A 68 -19.603 20.585 -10.525 1.00 63.53 H new ATOM 0 HD13 LEU A 68 -20.108 21.745 -9.273 1.00 63.53 H new ATOM 0 HD21 LEU A 68 -19.564 19.863 -6.896 1.00 50.21 H new ATOM 0 HD22 LEU A 68 -21.043 20.839 -7.066 1.00 50.21 H new ATOM 0 HD23 LEU A 68 -21.159 19.076 -6.849 1.00 50.21 H new ATOM 1080 N GLN A 69 -24.961 18.542 -10.225 1.00 50.32 N ATOM 1081 CA GLN A 69 -26.386 18.840 -10.315 1.00 0.44 C ATOM 1082 C GLN A 69 -27.204 17.834 -9.512 1.00 41.02 C ATOM 1083 O GLN A 69 -28.099 18.208 -8.753 1.00 61.05 O ATOM 1084 CB GLN A 69 -26.839 18.835 -11.776 1.00 31.23 C ATOM 1085 CG GLN A 69 -27.828 19.939 -12.110 1.00 14.42 C ATOM 1086 CD GLN A 69 -28.830 19.524 -13.169 1.00 73.05 C ATOM 1087 OE1 GLN A 69 -28.501 19.439 -14.352 1.00 61.04 O ATOM 1088 NE2 GLN A 69 -30.062 19.262 -12.749 1.00 21.21 N ATOM 0 H GLN A 69 -24.566 18.112 -11.061 1.00 50.32 H new ATOM 0 HA GLN A 69 -26.551 19.832 -9.895 1.00 0.44 H new ATOM 0 HB2 GLN A 69 -25.965 18.935 -12.419 1.00 31.23 H new ATOM 0 HB3 GLN A 69 -27.293 17.871 -12.004 1.00 31.23 H new ATOM 0 HG2 GLN A 69 -28.361 20.230 -11.205 1.00 14.42 H new ATOM 0 HG3 GLN A 69 -27.283 20.818 -12.455 1.00 14.42 H new ATOM 0 HE21 GLN A 69 -30.292 19.345 -11.759 1.00 21.21 H new ATOM 0 HE22 GLN A 69 -30.779 18.978 -13.417 1.00 21.21 H new ATOM 1097 N THR A 70 -26.891 16.553 -9.685 1.00 71.30 N ATOM 1098 CA THR A 70 -27.597 15.492 -8.979 1.00 34.03 C ATOM 1099 C THR A 70 -26.672 14.764 -8.011 1.00 11.52 C ATOM 1100 O THR A 70 -26.774 13.551 -7.832 1.00 13.42 O ATOM 1101 CB THR A 70 -28.202 14.470 -9.960 1.00 30.21 C ATOM 1102 OG1 THR A 70 -27.218 14.072 -10.921 1.00 33.42 O ATOM 1103 CG2 THR A 70 -29.410 15.056 -10.676 1.00 11.45 C ATOM 0 H THR A 70 -26.153 16.226 -10.308 1.00 71.30 H new ATOM 0 HA THR A 70 -28.402 15.968 -8.419 1.00 34.03 H new ATOM 0 HB THR A 70 -28.525 13.599 -9.390 1.00 30.21 H new ATOM 0 HG1 THR A 70 -27.610 13.421 -11.540 1.00 33.42 H new ATOM 0 HG21 THR A 70 -29.820 14.316 -11.363 1.00 11.45 H new ATOM 0 HG22 THR A 70 -30.169 15.331 -9.944 1.00 11.45 H new ATOM 0 HG23 THR A 70 -29.107 15.942 -11.235 1.00 11.45 H new ATOM 1111 N GLY A 71 -25.767 15.513 -7.388 1.00 5.41 N ATOM 1112 CA GLY A 71 -24.835 14.921 -6.445 1.00 55.23 C ATOM 1113 C GLY A 71 -25.269 15.113 -5.005 1.00 1.35 C ATOM 1114 O GLY A 71 -25.471 16.241 -4.555 1.00 72.23 O ATOM 0 H GLY A 71 -25.662 16.519 -7.519 1.00 5.41 H new ATOM 0 HA2 GLY A 71 -24.739 13.855 -6.654 1.00 55.23 H new ATOM 0 HA3 GLY A 71 -23.849 15.364 -6.586 1.00 55.23 H new ATOM 1118 N SER A 72 -25.412 14.008 -4.279 1.00 65.13 N ATOM 1119 CA SER A 72 -25.829 14.059 -2.883 1.00 52.22 C ATOM 1120 C SER A 72 -24.866 14.910 -2.059 1.00 52.24 C ATOM 1121 O SER A 72 -23.933 15.505 -2.597 1.00 12.24 O ATOM 1122 CB SER A 72 -25.906 12.647 -2.300 1.00 30.30 C ATOM 1123 OG SER A 72 -24.803 11.862 -2.718 1.00 3.03 O ATOM 0 H SER A 72 -25.245 13.067 -4.635 1.00 65.13 H new ATOM 0 HA SER A 72 -26.818 14.516 -2.841 1.00 52.22 H new ATOM 0 HB2 SER A 72 -25.927 12.700 -1.211 1.00 30.30 H new ATOM 0 HB3 SER A 72 -26.835 12.171 -2.614 1.00 30.30 H new ATOM 0 HG SER A 72 -24.875 10.965 -2.331 1.00 3.03 H new ATOM 1129 N GLU A 73 -25.102 14.961 -0.753 1.00 34.44 N ATOM 1130 CA GLU A 73 -24.257 15.739 0.146 1.00 62.32 C ATOM 1131 C GLU A 73 -22.808 15.263 0.078 1.00 20.20 C ATOM 1132 O GLU A 73 -21.878 16.067 0.128 1.00 24.42 O ATOM 1133 CB GLU A 73 -24.772 15.637 1.583 1.00 24.03 C ATOM 1134 CG GLU A 73 -24.296 16.766 2.482 1.00 61.35 C ATOM 1135 CD GLU A 73 -25.274 17.074 3.599 1.00 42.12 C ATOM 1136 OE1 GLU A 73 -26.305 17.722 3.322 1.00 44.24 O ATOM 1137 OE2 GLU A 73 -25.009 16.668 4.749 1.00 60.21 O ATOM 0 H GLU A 73 -25.871 14.473 -0.293 1.00 34.44 H new ATOM 0 HA GLU A 73 -24.295 16.781 -0.172 1.00 62.32 H new ATOM 0 HB2 GLU A 73 -25.862 15.629 1.570 1.00 24.03 H new ATOM 0 HB3 GLU A 73 -24.452 14.686 2.008 1.00 24.03 H new ATOM 0 HG2 GLU A 73 -23.331 16.500 2.912 1.00 61.35 H new ATOM 0 HG3 GLU A 73 -24.141 17.663 1.882 1.00 61.35 H new ATOM 1144 N GLU A 74 -22.628 13.951 -0.036 1.00 5.42 N ATOM 1145 CA GLU A 74 -21.292 13.368 -0.109 1.00 10.15 C ATOM 1146 C GLU A 74 -20.521 13.923 -1.304 1.00 30.24 C ATOM 1147 O GLU A 74 -19.319 14.178 -1.217 1.00 30.14 O ATOM 1148 CB GLU A 74 -21.382 11.844 -0.209 1.00 24.10 C ATOM 1149 CG GLU A 74 -21.030 11.127 1.084 1.00 55.42 C ATOM 1150 CD GLU A 74 -22.154 11.173 2.101 1.00 2.01 C ATOM 1151 OE1 GLU A 74 -22.257 12.185 2.826 1.00 2.11 O ATOM 1152 OE2 GLU A 74 -22.930 10.197 2.172 1.00 40.52 O ATOM 0 H GLU A 74 -23.388 13.272 -0.080 1.00 5.42 H new ATOM 0 HA GLU A 74 -20.756 13.634 0.802 1.00 10.15 H new ATOM 0 HB2 GLU A 74 -22.394 11.567 -0.504 1.00 24.10 H new ATOM 0 HB3 GLU A 74 -20.714 11.500 -0.999 1.00 24.10 H new ATOM 0 HG2 GLU A 74 -20.786 10.088 0.864 1.00 55.42 H new ATOM 0 HG3 GLU A 74 -20.137 11.580 1.515 1.00 55.42 H new ATOM 1159 N LEU A 75 -21.221 14.108 -2.418 1.00 20.43 N ATOM 1160 CA LEU A 75 -20.603 14.631 -3.631 1.00 12.40 C ATOM 1161 C LEU A 75 -20.187 16.087 -3.445 1.00 73.32 C ATOM 1162 O LEU A 75 -19.157 16.520 -3.964 1.00 75.31 O ATOM 1163 CB LEU A 75 -21.569 14.512 -4.811 1.00 14.15 C ATOM 1164 CG LEU A 75 -20.931 14.465 -6.199 1.00 42.44 C ATOM 1165 CD1 LEU A 75 -21.648 13.457 -7.083 1.00 64.25 C ATOM 1166 CD2 LEU A 75 -20.947 15.846 -6.840 1.00 34.30 C ATOM 0 H LEU A 75 -22.216 13.904 -2.506 1.00 20.43 H new ATOM 0 HA LEU A 75 -19.711 14.040 -3.839 1.00 12.40 H new ATOM 0 HB2 LEU A 75 -22.165 13.610 -4.677 1.00 14.15 H new ATOM 0 HB3 LEU A 75 -22.257 15.357 -4.778 1.00 14.15 H new ATOM 0 HG LEU A 75 -19.894 14.148 -6.090 1.00 42.44 H new ATOM 0 HD11 LEU A 75 -21.179 13.438 -8.067 1.00 64.25 H new ATOM 0 HD12 LEU A 75 -21.584 12.467 -6.631 1.00 64.25 H new ATOM 0 HD13 LEU A 75 -22.695 13.743 -7.185 1.00 64.25 H new ATOM 0 HD21 LEU A 75 -20.489 15.794 -7.828 1.00 34.30 H new ATOM 0 HD22 LEU A 75 -21.977 16.191 -6.935 1.00 34.30 H new ATOM 0 HD23 LEU A 75 -20.387 16.543 -6.217 1.00 34.30 H new ATOM 1178 N ARG A 76 -20.992 16.837 -2.701 1.00 14.22 N ATOM 1179 CA ARG A 76 -20.707 18.244 -2.445 1.00 63.53 C ATOM 1180 C ARG A 76 -19.416 18.400 -1.646 1.00 13.02 C ATOM 1181 O ARG A 76 -18.536 19.176 -2.016 1.00 65.30 O ATOM 1182 CB ARG A 76 -21.869 18.893 -1.691 1.00 24.30 C ATOM 1183 CG ARG A 76 -22.411 20.142 -2.366 1.00 42.40 C ATOM 1184 CD ARG A 76 -23.662 20.653 -1.669 1.00 52.33 C ATOM 1185 NE ARG A 76 -23.356 21.279 -0.385 1.00 54.13 N ATOM 1186 CZ ARG A 76 -24.239 21.979 0.319 1.00 52.00 C ATOM 1187 NH1 ARG A 76 -25.474 22.142 -0.133 1.00 52.11 N ATOM 1188 NH2 ARG A 76 -23.885 22.517 1.479 1.00 15.43 N ATOM 0 H ARG A 76 -21.848 16.494 -2.264 1.00 14.22 H new ATOM 0 HA ARG A 76 -20.582 18.745 -3.405 1.00 63.53 H new ATOM 0 HB2 ARG A 76 -22.675 18.167 -1.588 1.00 24.30 H new ATOM 0 HB3 ARG A 76 -21.540 19.148 -0.684 1.00 24.30 H new ATOM 0 HG2 ARG A 76 -21.647 20.920 -2.362 1.00 42.40 H new ATOM 0 HG3 ARG A 76 -22.638 19.924 -3.410 1.00 42.40 H new ATOM 0 HD2 ARG A 76 -24.167 21.374 -2.312 1.00 52.33 H new ATOM 0 HD3 ARG A 76 -24.354 19.825 -1.513 1.00 52.33 H new ATOM 0 HE ARG A 76 -22.414 21.173 -0.009 1.00 54.13 H new ATOM 0 HH11 ARG A 76 -25.750 21.729 -1.024 1.00 52.11 H new ATOM 0 HH12 ARG A 76 -26.149 22.680 0.410 1.00 52.11 H new ATOM 0 HH21 ARG A 76 -22.935 22.393 1.830 1.00 15.43 H new ATOM 0 HH22 ARG A 76 -24.563 23.054 2.020 1.00 15.43 H new ATOM 1202 N SER A 77 -19.313 17.658 -0.547 1.00 45.53 N ATOM 1203 CA SER A 77 -18.133 17.718 0.306 1.00 2.31 C ATOM 1204 C SER A 77 -16.900 17.210 -0.435 1.00 21.12 C ATOM 1205 O SER A 77 -15.819 17.793 -0.339 1.00 13.21 O ATOM 1206 CB SER A 77 -18.354 16.894 1.576 1.00 61.21 C ATOM 1207 OG SER A 77 -19.012 17.658 2.572 1.00 44.01 O ATOM 0 H SER A 77 -20.032 17.009 -0.228 1.00 45.53 H new ATOM 0 HA SER A 77 -17.966 18.760 0.581 1.00 2.31 H new ATOM 0 HB2 SER A 77 -18.947 16.010 1.341 1.00 61.21 H new ATOM 0 HB3 SER A 77 -17.395 16.543 1.957 1.00 61.21 H new ATOM 0 HG SER A 77 -19.143 17.108 3.373 1.00 44.01 H new ATOM 1213 N LEU A 78 -17.069 16.120 -1.174 1.00 42.23 N ATOM 1214 CA LEU A 78 -15.971 15.531 -1.934 1.00 14.45 C ATOM 1215 C LEU A 78 -15.330 16.565 -2.853 1.00 70.23 C ATOM 1216 O LEU A 78 -14.125 16.807 -2.788 1.00 62.02 O ATOM 1217 CB LEU A 78 -16.472 14.341 -2.753 1.00 52.55 C ATOM 1218 CG LEU A 78 -16.124 12.956 -2.209 1.00 44.22 C ATOM 1219 CD1 LEU A 78 -14.616 12.792 -2.091 1.00 51.52 C ATOM 1220 CD2 LEU A 78 -16.794 12.728 -0.862 1.00 4.14 C ATOM 0 H LEU A 78 -17.956 15.625 -1.264 1.00 42.23 H new ATOM 0 HA LEU A 78 -15.217 15.184 -1.228 1.00 14.45 H new ATOM 0 HB2 LEU A 78 -17.556 14.414 -2.837 1.00 52.55 H new ATOM 0 HB3 LEU A 78 -16.068 14.425 -3.762 1.00 52.55 H new ATOM 0 HG LEU A 78 -16.497 12.208 -2.909 1.00 44.22 H new ATOM 0 HD11 LEU A 78 -14.387 11.800 -1.702 1.00 51.52 H new ATOM 0 HD12 LEU A 78 -14.159 12.911 -3.073 1.00 51.52 H new ATOM 0 HD13 LEU A 78 -14.220 13.548 -1.413 1.00 51.52 H new ATOM 0 HD21 LEU A 78 -16.535 11.737 -0.490 1.00 4.14 H new ATOM 0 HD22 LEU A 78 -16.452 13.482 -0.153 1.00 4.14 H new ATOM 0 HD23 LEU A 78 -17.875 12.801 -0.977 1.00 4.14 H new ATOM 1232 N TYR A 79 -16.144 17.174 -3.709 1.00 75.53 N ATOM 1233 CA TYR A 79 -15.657 18.181 -4.643 1.00 42.55 C ATOM 1234 C TYR A 79 -14.816 19.230 -3.923 1.00 22.15 C ATOM 1235 O TYR A 79 -13.807 19.700 -4.447 1.00 24.23 O ATOM 1236 CB TYR A 79 -16.830 18.855 -5.357 1.00 63.45 C ATOM 1237 CG TYR A 79 -16.495 19.335 -6.752 1.00 33.34 C ATOM 1238 CD1 TYR A 79 -15.976 18.463 -7.701 1.00 64.14 C ATOM 1239 CD2 TYR A 79 -16.697 20.659 -7.119 1.00 31.15 C ATOM 1240 CE1 TYR A 79 -15.668 18.897 -8.976 1.00 43.02 C ATOM 1241 CE2 TYR A 79 -16.394 21.102 -8.392 1.00 24.42 C ATOM 1242 CZ TYR A 79 -15.878 20.218 -9.317 1.00 74.40 C ATOM 1243 OH TYR A 79 -15.573 20.655 -10.585 1.00 60.43 O ATOM 0 H TYR A 79 -17.145 16.987 -3.775 1.00 75.53 H new ATOM 0 HA TYR A 79 -15.029 17.682 -5.381 1.00 42.55 H new ATOM 0 HB2 TYR A 79 -17.662 18.153 -5.413 1.00 63.45 H new ATOM 0 HB3 TYR A 79 -17.168 19.703 -4.761 1.00 63.45 H new ATOM 0 HD1 TYR A 79 -15.811 17.429 -7.438 1.00 64.14 H new ATOM 0 HD2 TYR A 79 -17.098 21.355 -6.397 1.00 31.15 H new ATOM 0 HE1 TYR A 79 -15.265 18.206 -9.702 1.00 43.02 H new ATOM 0 HE2 TYR A 79 -16.560 22.135 -8.662 1.00 24.42 H new ATOM 0 HH TYR A 79 -16.401 20.798 -11.090 1.00 60.43 H new ATOM 1253 N ASN A 80 -15.240 19.593 -2.716 1.00 53.43 N ATOM 1254 CA ASN A 80 -14.527 20.587 -1.922 1.00 60.45 C ATOM 1255 C ASN A 80 -13.101 20.130 -1.631 1.00 63.42 C ATOM 1256 O ASN A 80 -12.134 20.780 -2.031 1.00 62.30 O ATOM 1257 CB ASN A 80 -15.268 20.848 -0.609 1.00 51.13 C ATOM 1258 CG ASN A 80 -15.947 22.205 -0.589 1.00 32.30 C ATOM 1259 OD1 ASN A 80 -15.784 22.978 0.354 1.00 11.11 O ATOM 1260 ND2 ASN A 80 -16.713 22.498 -1.633 1.00 10.20 N ATOM 0 H ASN A 80 -16.074 19.214 -2.267 1.00 53.43 H new ATOM 0 HA ASN A 80 -14.483 21.512 -2.497 1.00 60.45 H new ATOM 0 HB2 ASN A 80 -16.014 20.069 -0.455 1.00 51.13 H new ATOM 0 HB3 ASN A 80 -14.565 20.784 0.221 1.00 51.13 H new ATOM 0 HD21 ASN A 80 -17.196 23.396 -1.676 1.00 10.20 H new ATOM 0 HD22 ASN A 80 -16.819 21.826 -2.393 1.00 10.20 H new ATOM 1267 N THR A 81 -12.977 19.005 -0.934 1.00 3.12 N ATOM 1268 CA THR A 81 -11.670 18.460 -0.588 1.00 60.24 C ATOM 1269 C THR A 81 -10.853 18.156 -1.839 1.00 2.21 C ATOM 1270 O THR A 81 -9.719 18.615 -1.978 1.00 51.32 O ATOM 1271 CB THR A 81 -11.801 17.175 0.250 1.00 22.45 C ATOM 1272 OG1 THR A 81 -12.474 17.459 1.481 1.00 13.33 O ATOM 1273 CG2 THR A 81 -10.432 16.577 0.541 1.00 35.33 C ATOM 0 H THR A 81 -13.766 18.453 -0.598 1.00 3.12 H new ATOM 0 HA THR A 81 -11.157 19.219 0.003 1.00 60.24 H new ATOM 0 HB THR A 81 -12.382 16.452 -0.323 1.00 22.45 H new ATOM 0 HG1 THR A 81 -12.555 16.636 2.007 1.00 13.33 H new ATOM 0 HG21 THR A 81 -10.550 15.670 1.134 1.00 35.33 H new ATOM 0 HG22 THR A 81 -9.934 16.334 -0.398 1.00 35.33 H new ATOM 0 HG23 THR A 81 -9.831 17.298 1.095 1.00 35.33 H new ATOM 1281 N ILE A 82 -11.436 17.381 -2.747 1.00 61.33 N ATOM 1282 CA ILE A 82 -10.763 17.018 -3.988 1.00 4.14 C ATOM 1283 C ILE A 82 -10.177 18.247 -4.675 1.00 11.22 C ATOM 1284 O ILE A 82 -9.052 18.215 -5.174 1.00 31.25 O ATOM 1285 CB ILE A 82 -11.720 16.307 -4.962 1.00 32.22 C ATOM 1286 CG1 ILE A 82 -12.287 15.039 -4.319 1.00 21.24 C ATOM 1287 CG2 ILE A 82 -11.002 15.972 -6.261 1.00 53.54 C ATOM 1288 CD1 ILE A 82 -13.543 14.530 -4.990 1.00 64.44 C ATOM 0 H ILE A 82 -12.374 16.992 -2.647 1.00 61.33 H new ATOM 0 HA ILE A 82 -9.957 16.334 -3.721 1.00 4.14 H new ATOM 0 HB ILE A 82 -12.548 16.979 -5.190 1.00 32.22 H new ATOM 0 HG12 ILE A 82 -11.528 14.257 -4.346 1.00 21.24 H new ATOM 0 HG13 ILE A 82 -12.501 15.239 -3.269 1.00 21.24 H new ATOM 0 HG21 ILE A 82 -11.692 15.470 -6.939 1.00 53.54 H new ATOM 0 HG22 ILE A 82 -10.641 16.890 -6.725 1.00 53.54 H new ATOM 0 HG23 ILE A 82 -10.157 15.316 -6.051 1.00 53.54 H new ATOM 0 HD11 ILE A 82 -13.888 13.630 -4.481 1.00 64.44 H new ATOM 0 HD12 ILE A 82 -14.318 15.295 -4.939 1.00 64.44 H new ATOM 0 HD13 ILE A 82 -13.330 14.298 -6.033 1.00 64.44 H new ATOM 1300 N ALA A 83 -10.948 19.330 -4.696 1.00 63.02 N ATOM 1301 CA ALA A 83 -10.504 20.570 -5.319 1.00 41.33 C ATOM 1302 C ALA A 83 -9.161 21.020 -4.752 1.00 71.11 C ATOM 1303 O ALA A 83 -8.252 21.381 -5.498 1.00 4.33 O ATOM 1304 CB ALA A 83 -11.550 21.659 -5.130 1.00 1.14 C ATOM 0 H ALA A 83 -11.882 19.373 -4.289 1.00 63.02 H new ATOM 0 HA ALA A 83 -10.375 20.386 -6.386 1.00 41.33 H new ATOM 0 HB1 ALA A 83 -11.205 22.580 -5.600 1.00 1.14 H new ATOM 0 HB2 ALA A 83 -12.488 21.346 -5.589 1.00 1.14 H new ATOM 0 HB3 ALA A 83 -11.707 21.832 -4.065 1.00 1.14 H new ATOM 1310 N VAL A 84 -9.045 20.995 -3.428 1.00 0.41 N ATOM 1311 CA VAL A 84 -7.813 21.400 -2.762 1.00 52.52 C ATOM 1312 C VAL A 84 -6.731 20.337 -2.914 1.00 62.11 C ATOM 1313 O VAL A 84 -5.614 20.629 -3.342 1.00 0.50 O ATOM 1314 CB VAL A 84 -8.047 21.667 -1.263 1.00 53.35 C ATOM 1315 CG1 VAL A 84 -6.771 22.167 -0.603 1.00 31.42 C ATOM 1316 CG2 VAL A 84 -9.182 22.662 -1.071 1.00 3.32 C ATOM 0 H VAL A 84 -9.789 20.699 -2.796 1.00 0.41 H new ATOM 0 HA VAL A 84 -7.483 22.322 -3.241 1.00 52.52 H new ATOM 0 HB VAL A 84 -8.331 20.730 -0.785 1.00 53.35 H new ATOM 0 HG11 VAL A 84 -6.956 22.350 0.455 1.00 31.42 H new ATOM 0 HG12 VAL A 84 -5.988 21.416 -0.710 1.00 31.42 H new ATOM 0 HG13 VAL A 84 -6.453 23.094 -1.081 1.00 31.42 H new ATOM 0 HG21 VAL A 84 -9.334 22.839 -0.006 1.00 3.32 H new ATOM 0 HG22 VAL A 84 -8.930 23.601 -1.563 1.00 3.32 H new ATOM 0 HG23 VAL A 84 -10.097 22.259 -1.506 1.00 3.32 H new ATOM 1326 N LEU A 85 -7.070 19.101 -2.561 1.00 44.43 N ATOM 1327 CA LEU A 85 -6.127 17.993 -2.659 1.00 10.14 C ATOM 1328 C LEU A 85 -5.477 17.950 -4.038 1.00 13.43 C ATOM 1329 O LEU A 85 -4.301 17.609 -4.172 1.00 0.14 O ATOM 1330 CB LEU A 85 -6.837 16.668 -2.376 1.00 2.03 C ATOM 1331 CG LEU A 85 -6.179 15.762 -1.334 1.00 3.11 C ATOM 1332 CD1 LEU A 85 -7.045 15.667 -0.088 1.00 23.24 C ATOM 1333 CD2 LEU A 85 -5.923 14.380 -1.915 1.00 23.14 C ATOM 0 H LEU A 85 -7.990 18.842 -2.205 1.00 44.43 H new ATOM 0 HA LEU A 85 -5.346 18.147 -1.915 1.00 10.14 H new ATOM 0 HB2 LEU A 85 -7.853 16.886 -2.048 1.00 2.03 H new ATOM 0 HB3 LEU A 85 -6.916 16.114 -3.312 1.00 2.03 H new ATOM 0 HG LEU A 85 -5.221 16.199 -1.053 1.00 3.11 H new ATOM 0 HD11 LEU A 85 -6.561 15.018 0.643 1.00 23.24 H new ATOM 0 HD12 LEU A 85 -7.177 16.661 0.340 1.00 23.24 H new ATOM 0 HD13 LEU A 85 -8.018 15.254 -0.352 1.00 23.24 H new ATOM 0 HD21 LEU A 85 -5.455 13.749 -1.160 1.00 23.14 H new ATOM 0 HD22 LEU A 85 -6.868 13.935 -2.224 1.00 23.14 H new ATOM 0 HD23 LEU A 85 -5.262 14.465 -2.778 1.00 23.14 H new ATOM 1345 N TYR A 86 -6.249 18.301 -5.061 1.00 23.03 N ATOM 1346 CA TYR A 86 -5.748 18.303 -6.431 1.00 0.04 C ATOM 1347 C TYR A 86 -4.830 19.496 -6.673 1.00 12.21 C ATOM 1348 O TYR A 86 -3.779 19.368 -7.304 1.00 55.03 O ATOM 1349 CB TYR A 86 -6.913 18.332 -7.420 1.00 60.55 C ATOM 1350 CG TYR A 86 -6.483 18.536 -8.856 1.00 62.21 C ATOM 1351 CD1 TYR A 86 -5.996 17.477 -9.613 1.00 1.25 C ATOM 1352 CD2 TYR A 86 -6.564 19.787 -9.456 1.00 34.03 C ATOM 1353 CE1 TYR A 86 -5.600 17.659 -10.924 1.00 1.12 C ATOM 1354 CE2 TYR A 86 -6.173 19.977 -10.766 1.00 61.23 C ATOM 1355 CZ TYR A 86 -5.691 18.911 -11.497 1.00 14.02 C ATOM 1356 OH TYR A 86 -5.300 19.096 -12.803 1.00 63.50 O ATOM 0 H TYR A 86 -7.223 18.588 -4.968 1.00 23.03 H new ATOM 0 HA TYR A 86 -5.173 17.390 -6.583 1.00 0.04 H new ATOM 0 HB2 TYR A 86 -7.466 17.396 -7.345 1.00 60.55 H new ATOM 0 HB3 TYR A 86 -7.599 19.131 -7.138 1.00 60.55 H new ATOM 0 HD1 TYR A 86 -5.926 16.495 -9.169 1.00 1.25 H new ATOM 0 HD2 TYR A 86 -6.939 20.625 -8.887 1.00 34.03 H new ATOM 0 HE1 TYR A 86 -5.221 16.826 -11.497 1.00 1.12 H new ATOM 0 HE2 TYR A 86 -6.244 20.956 -11.217 1.00 61.23 H new ATOM 0 HH TYR A 86 -5.429 20.035 -13.053 1.00 63.50 H new ATOM 1366 N CYS A 87 -5.233 20.657 -6.167 1.00 42.33 N ATOM 1367 CA CYS A 87 -4.447 21.875 -6.328 1.00 60.13 C ATOM 1368 C CYS A 87 -3.110 21.759 -5.604 1.00 42.03 C ATOM 1369 O CYS A 87 -2.087 22.252 -6.083 1.00 15.01 O ATOM 1370 CB CYS A 87 -5.224 23.082 -5.800 1.00 55.11 C ATOM 1371 SG CYS A 87 -6.283 23.876 -7.032 1.00 33.51 S ATOM 0 H CYS A 87 -6.099 20.780 -5.642 1.00 42.33 H new ATOM 0 HA CYS A 87 -4.253 22.014 -7.391 1.00 60.13 H new ATOM 0 HB2 CYS A 87 -5.839 22.764 -4.958 1.00 55.11 H new ATOM 0 HB3 CYS A 87 -4.516 23.817 -5.417 1.00 55.11 H new ATOM 0 HG CYS A 87 -7.194 24.582 -6.431 1.00 33.51 H new ATOM 1377 N VAL A 88 -3.124 21.107 -4.446 1.00 52.10 N ATOM 1378 CA VAL A 88 -1.913 20.926 -3.654 1.00 53.55 C ATOM 1379 C VAL A 88 -0.930 19.997 -4.358 1.00 71.33 C ATOM 1380 O VAL A 88 0.284 20.185 -4.279 1.00 11.12 O ATOM 1381 CB VAL A 88 -2.234 20.356 -2.260 1.00 43.32 C ATOM 1382 CG1 VAL A 88 -0.954 20.135 -1.467 1.00 72.45 C ATOM 1383 CG2 VAL A 88 -3.180 21.282 -1.511 1.00 41.54 C ATOM 0 H VAL A 88 -3.962 20.695 -4.035 1.00 52.10 H new ATOM 0 HA VAL A 88 -1.459 21.910 -3.539 1.00 53.55 H new ATOM 0 HB VAL A 88 -2.728 19.393 -2.385 1.00 43.32 H new ATOM 0 HG11 VAL A 88 -1.200 19.732 -0.485 1.00 72.45 H new ATOM 0 HG12 VAL A 88 -0.314 19.431 -1.998 1.00 72.45 H new ATOM 0 HG13 VAL A 88 -0.430 21.084 -1.349 1.00 72.45 H new ATOM 0 HG21 VAL A 88 -3.396 20.864 -0.528 1.00 41.54 H new ATOM 0 HG22 VAL A 88 -2.715 22.261 -1.395 1.00 41.54 H new ATOM 0 HG23 VAL A 88 -4.108 21.386 -2.073 1.00 41.54 H new ATOM 1393 N HIS A 89 -1.463 18.993 -5.047 1.00 52.21 N ATOM 1394 CA HIS A 89 -0.634 18.033 -5.766 1.00 64.35 C ATOM 1395 C HIS A 89 -0.042 18.663 -7.025 1.00 1.05 C ATOM 1396 O HIS A 89 1.080 18.291 -7.369 1.00 13.43 O ATOM 1397 CB HIS A 89 -1.452 16.796 -6.139 1.00 0.55 C ATOM 1398 CG HIS A 89 -1.757 15.907 -4.972 1.00 50.12 C ATOM 1399 ND1 HIS A 89 -0.974 15.857 -3.838 1.00 41.42 N ATOM 1400 CD2 HIS A 89 -2.767 15.030 -4.768 1.00 33.21 C ATOM 1401 CE1 HIS A 89 -1.490 14.989 -2.988 1.00 23.30 C ATOM 1402 NE2 HIS A 89 -2.579 14.473 -3.527 1.00 63.03 N ATOM 0 H HIS A 89 -2.466 18.823 -5.122 1.00 52.21 H new ATOM 0 HA HIS A 89 0.183 17.734 -5.110 1.00 64.35 H new ATOM 0 HB2 HIS A 89 -2.388 17.114 -6.598 1.00 0.55 H new ATOM 0 HB3 HIS A 89 -0.908 16.223 -6.890 1.00 0.55 H new ATOM 0 HD1 HIS A 89 -0.128 16.405 -3.681 1.00 41.42 H new ATOM 0 HD2 HIS A 89 -3.572 14.809 -5.454 1.00 33.21 H new ATOM 0 HE1 HIS A 89 -1.089 14.743 -2.016 1.00 23.30 H new ATOM 0 HE2 HIS A 89 -3.182 13.775 -3.093 1.00 63.03 H new ATOM 1411 N GLN A 90 -0.741 19.573 -7.695 1.00 1.43 N ATOM 1412 CA GLN A 90 -0.217 20.201 -8.902 1.00 72.43 C ATOM 1413 C GLN A 90 0.704 21.365 -8.554 1.00 43.30 C ATOM 1414 O GLN A 90 1.185 22.075 -9.438 1.00 32.23 O ATOM 1415 CB GLN A 90 -1.365 20.691 -9.787 1.00 54.23 C ATOM 1416 CG GLN A 90 -1.314 20.148 -11.206 1.00 54.43 C ATOM 1417 CD GLN A 90 -0.358 20.921 -12.092 1.00 43.23 C ATOM 1418 OE1 GLN A 90 -0.405 22.150 -12.154 1.00 13.33 O ATOM 1419 NE2 GLN A 90 0.519 20.203 -12.784 1.00 45.52 N ATOM 0 H GLN A 90 -1.671 19.892 -7.423 1.00 1.43 H new ATOM 0 HA GLN A 90 0.361 19.455 -9.448 1.00 72.43 H new ATOM 0 HB2 GLN A 90 -2.312 20.404 -9.331 1.00 54.23 H new ATOM 0 HB3 GLN A 90 -1.346 21.780 -9.823 1.00 54.23 H new ATOM 0 HG2 GLN A 90 -1.013 19.101 -11.180 1.00 54.43 H new ATOM 0 HG3 GLN A 90 -2.313 20.181 -11.640 1.00 54.43 H new ATOM 0 HE21 GLN A 90 0.523 19.186 -12.703 1.00 45.52 H new ATOM 0 HE22 GLN A 90 1.189 20.668 -13.397 1.00 45.52 H new ATOM 1428 N ARG A 91 0.948 21.555 -7.262 1.00 15.02 N ATOM 1429 CA ARG A 91 1.810 22.634 -6.797 1.00 22.12 C ATOM 1430 C ARG A 91 1.131 23.989 -6.975 1.00 64.33 C ATOM 1431 O ARG A 91 1.770 24.966 -7.369 1.00 15.33 O ATOM 1432 CB ARG A 91 3.140 22.614 -7.554 1.00 34.13 C ATOM 1433 CG ARG A 91 4.300 23.196 -6.763 1.00 12.15 C ATOM 1434 CD ARG A 91 5.383 22.157 -6.515 1.00 53.53 C ATOM 1435 NE ARG A 91 5.247 21.528 -5.204 1.00 71.54 N ATOM 1436 CZ ARG A 91 5.495 22.153 -4.059 1.00 71.11 C ATOM 1437 NH1 ARG A 91 5.887 23.419 -4.063 1.00 24.15 N ATOM 1438 NH2 ARG A 91 5.348 21.511 -2.907 1.00 43.32 N ATOM 0 H ARG A 91 0.560 20.975 -6.518 1.00 15.02 H new ATOM 0 HA ARG A 91 2.001 22.481 -5.735 1.00 22.12 H new ATOM 0 HB2 ARG A 91 3.377 21.586 -7.827 1.00 34.13 H new ATOM 0 HB3 ARG A 91 3.028 23.173 -8.483 1.00 34.13 H new ATOM 0 HG2 ARG A 91 4.723 24.042 -7.305 1.00 12.15 H new ATOM 0 HG3 ARG A 91 3.936 23.578 -5.809 1.00 12.15 H new ATOM 0 HD2 ARG A 91 5.337 21.393 -7.291 1.00 53.53 H new ATOM 0 HD3 ARG A 91 6.363 22.629 -6.591 1.00 53.53 H new ATOM 0 HE ARG A 91 4.945 20.555 -5.166 1.00 71.54 H new ATOM 0 HH11 ARG A 91 5.999 23.915 -4.947 1.00 24.15 H new ATOM 0 HH12 ARG A 91 6.077 23.897 -3.182 1.00 24.15 H new ATOM 0 HH21 ARG A 91 5.044 20.537 -2.901 1.00 43.32 H new ATOM 0 HH22 ARG A 91 5.539 21.991 -2.028 1.00 43.32 H new ATOM 1452 N ILE A 92 -0.164 24.039 -6.686 1.00 72.11 N ATOM 1453 CA ILE A 92 -0.928 25.273 -6.814 1.00 13.20 C ATOM 1454 C ILE A 92 -1.267 25.855 -5.445 1.00 60.53 C ATOM 1455 O ILE A 92 -1.881 25.191 -4.612 1.00 34.44 O ATOM 1456 CB ILE A 92 -2.234 25.048 -7.601 1.00 5.23 C ATOM 1457 CG1 ILE A 92 -1.930 24.443 -8.972 1.00 71.32 C ATOM 1458 CG2 ILE A 92 -2.995 26.357 -7.749 1.00 11.12 C ATOM 1459 CD1 ILE A 92 -3.168 24.144 -9.788 1.00 70.11 C ATOM 0 H ILE A 92 -0.707 23.239 -6.361 1.00 72.11 H new ATOM 0 HA ILE A 92 -0.300 25.977 -7.360 1.00 13.20 H new ATOM 0 HB ILE A 92 -2.860 24.348 -7.047 1.00 5.23 H new ATOM 0 HG12 ILE A 92 -1.294 25.130 -9.530 1.00 71.32 H new ATOM 0 HG13 ILE A 92 -1.363 23.522 -8.836 1.00 71.32 H new ATOM 0 HG21 ILE A 92 -3.915 26.182 -8.307 1.00 11.12 H new ATOM 0 HG22 ILE A 92 -3.238 26.750 -6.762 1.00 11.12 H new ATOM 0 HG23 ILE A 92 -2.378 27.078 -8.284 1.00 11.12 H new ATOM 0 HD11 ILE A 92 -2.877 23.717 -10.748 1.00 70.11 H new ATOM 0 HD12 ILE A 92 -3.795 23.433 -9.250 1.00 70.11 H new ATOM 0 HD13 ILE A 92 -3.725 25.066 -9.955 1.00 70.11 H new ATOM 1471 N ASP A 93 -0.863 27.101 -5.222 1.00 63.44 N ATOM 1472 CA ASP A 93 -1.125 27.774 -3.957 1.00 13.21 C ATOM 1473 C ASP A 93 -2.530 28.369 -3.938 1.00 42.30 C ATOM 1474 O ASP A 93 -2.782 29.413 -4.541 1.00 24.10 O ATOM 1475 CB ASP A 93 -0.090 28.874 -3.715 1.00 11.20 C ATOM 1476 CG ASP A 93 1.322 28.330 -3.626 1.00 5.04 C ATOM 1477 OD1 ASP A 93 1.477 27.096 -3.501 1.00 11.51 O ATOM 1478 OD2 ASP A 93 2.273 29.137 -3.682 1.00 64.00 O ATOM 0 H ASP A 93 -0.353 27.665 -5.902 1.00 63.44 H new ATOM 0 HA ASP A 93 -1.052 27.035 -3.160 1.00 13.21 H new ATOM 0 HB2 ASP A 93 -0.145 29.604 -4.522 1.00 11.20 H new ATOM 0 HB3 ASP A 93 -0.332 29.400 -2.792 1.00 11.20 H new ATOM 1483 N VAL A 94 -3.442 27.697 -3.243 1.00 74.43 N ATOM 1484 CA VAL A 94 -4.822 28.158 -3.147 1.00 51.31 C ATOM 1485 C VAL A 94 -5.053 28.934 -1.855 1.00 2.05 C ATOM 1486 O VAL A 94 -4.429 28.657 -0.831 1.00 30.34 O ATOM 1487 CB VAL A 94 -5.814 26.981 -3.209 1.00 43.12 C ATOM 1488 CG1 VAL A 94 -5.613 26.182 -4.488 1.00 62.11 C ATOM 1489 CG2 VAL A 94 -5.661 26.091 -1.985 1.00 42.34 C ATOM 0 H VAL A 94 -3.250 26.832 -2.738 1.00 74.43 H new ATOM 0 HA VAL A 94 -4.996 28.815 -3.999 1.00 51.31 H new ATOM 0 HB VAL A 94 -6.828 27.381 -3.214 1.00 43.12 H new ATOM 0 HG11 VAL A 94 -6.322 25.354 -4.515 1.00 62.11 H new ATOM 0 HG12 VAL A 94 -5.776 26.828 -5.350 1.00 62.11 H new ATOM 0 HG13 VAL A 94 -4.596 25.790 -4.516 1.00 62.11 H new ATOM 0 HG21 VAL A 94 -6.369 25.265 -2.045 1.00 42.34 H new ATOM 0 HG22 VAL A 94 -4.646 25.697 -1.947 1.00 42.34 H new ATOM 0 HG23 VAL A 94 -5.858 26.673 -1.085 1.00 42.34 H new ATOM 1499 N LYS A 95 -5.954 29.908 -1.909 1.00 51.23 N ATOM 1500 CA LYS A 95 -6.270 30.725 -0.744 1.00 13.52 C ATOM 1501 C LYS A 95 -7.315 30.041 0.133 1.00 2.33 C ATOM 1502 O LYS A 95 -7.266 30.133 1.359 1.00 21.34 O ATOM 1503 CB LYS A 95 -6.778 32.101 -1.181 1.00 34.31 C ATOM 1504 CG LYS A 95 -5.733 33.198 -1.074 1.00 60.22 C ATOM 1505 CD LYS A 95 -5.919 34.023 0.188 1.00 52.53 C ATOM 1506 CE LYS A 95 -5.587 35.488 -0.051 1.00 11.42 C ATOM 1507 NZ LYS A 95 -6.044 36.351 1.074 1.00 42.12 N ATOM 0 H LYS A 95 -6.479 30.151 -2.749 1.00 51.23 H new ATOM 0 HA LYS A 95 -5.357 30.850 -0.162 1.00 13.52 H new ATOM 0 HB2 LYS A 95 -7.124 32.040 -2.213 1.00 34.31 H new ATOM 0 HB3 LYS A 95 -7.640 32.371 -0.571 1.00 34.31 H new ATOM 0 HG2 LYS A 95 -4.737 32.755 -1.077 1.00 60.22 H new ATOM 0 HG3 LYS A 95 -5.795 33.848 -1.947 1.00 60.22 H new ATOM 0 HD2 LYS A 95 -6.949 33.934 0.534 1.00 52.53 H new ATOM 0 HD3 LYS A 95 -5.282 33.629 0.979 1.00 52.53 H new ATOM 0 HE2 LYS A 95 -4.511 35.600 -0.181 1.00 11.42 H new ATOM 0 HE3 LYS A 95 -6.056 35.820 -0.977 1.00 11.42 H new ATOM 0 HZ1 LYS A 95 -5.799 37.342 0.873 1.00 42.12 H new ATOM 0 HZ2 LYS A 95 -7.075 36.264 1.182 1.00 42.12 H new ATOM 0 HZ3 LYS A 95 -5.577 36.051 1.954 1.00 42.12 H new ATOM 1521 N ASP A 96 -8.257 29.356 -0.504 1.00 72.53 N ATOM 1522 CA ASP A 96 -9.312 28.653 0.218 1.00 4.12 C ATOM 1523 C ASP A 96 -10.051 27.687 -0.702 1.00 63.42 C ATOM 1524 O ASP A 96 -9.897 27.734 -1.923 1.00 42.32 O ATOM 1525 CB ASP A 96 -10.297 29.653 0.823 1.00 15.54 C ATOM 1526 CG ASP A 96 -10.590 30.814 -0.107 1.00 2.41 C ATOM 1527 OD1 ASP A 96 -11.226 30.588 -1.157 1.00 73.34 O ATOM 1528 OD2 ASP A 96 -10.182 31.950 0.216 1.00 11.13 O ATOM 0 H ASP A 96 -8.312 29.272 -1.519 1.00 72.53 H new ATOM 0 HA ASP A 96 -8.848 28.079 1.020 1.00 4.12 H new ATOM 0 HB2 ASP A 96 -11.228 29.140 1.064 1.00 15.54 H new ATOM 0 HB3 ASP A 96 -9.892 30.035 1.760 1.00 15.54 H new ATOM 1533 N THR A 97 -10.853 26.808 -0.109 1.00 51.30 N ATOM 1534 CA THR A 97 -11.614 25.830 -0.875 1.00 73.23 C ATOM 1535 C THR A 97 -12.445 26.504 -1.960 1.00 40.53 C ATOM 1536 O THR A 97 -12.905 25.856 -2.899 1.00 71.50 O ATOM 1537 CB THR A 97 -12.547 25.008 0.034 1.00 70.11 C ATOM 1538 OG1 THR A 97 -11.819 24.509 1.162 1.00 40.53 O ATOM 1539 CG2 THR A 97 -13.164 23.846 -0.732 1.00 4.22 C ATOM 0 H THR A 97 -10.992 26.754 0.900 1.00 51.30 H new ATOM 0 HA THR A 97 -10.890 25.162 -1.340 1.00 73.23 H new ATOM 0 HB THR A 97 -13.348 25.661 0.380 1.00 70.11 H new ATOM 0 HG1 THR A 97 -11.652 23.550 1.045 1.00 40.53 H new ATOM 0 HG21 THR A 97 -13.819 23.280 -0.069 1.00 4.22 H new ATOM 0 HG22 THR A 97 -13.742 24.230 -1.572 1.00 4.22 H new ATOM 0 HG23 THR A 97 -12.373 23.194 -1.104 1.00 4.22 H new ATOM 1547 N LYS A 98 -12.633 27.813 -1.825 1.00 51.51 N ATOM 1548 CA LYS A 98 -13.408 28.578 -2.795 1.00 3.43 C ATOM 1549 C LYS A 98 -12.582 28.867 -4.045 1.00 1.22 C ATOM 1550 O LYS A 98 -12.954 28.473 -5.150 1.00 34.34 O ATOM 1551 CB LYS A 98 -13.888 29.892 -2.174 1.00 4.35 C ATOM 1552 CG LYS A 98 -15.275 30.310 -2.627 1.00 63.32 C ATOM 1553 CD LYS A 98 -15.361 31.811 -2.850 1.00 60.33 C ATOM 1554 CE LYS A 98 -16.431 32.161 -3.873 1.00 0.42 C ATOM 1555 NZ LYS A 98 -16.478 33.624 -4.146 1.00 54.30 N ATOM 0 H LYS A 98 -12.259 28.366 -1.054 1.00 51.51 H new ATOM 0 HA LYS A 98 -14.274 27.981 -3.082 1.00 3.43 H new ATOM 0 HB2 LYS A 98 -13.884 29.793 -1.088 1.00 4.35 H new ATOM 0 HB3 LYS A 98 -13.180 30.682 -2.425 1.00 4.35 H new ATOM 0 HG2 LYS A 98 -15.529 29.789 -3.550 1.00 63.32 H new ATOM 0 HG3 LYS A 98 -16.009 30.010 -1.879 1.00 63.32 H new ATOM 0 HD2 LYS A 98 -15.582 32.308 -1.906 1.00 60.33 H new ATOM 0 HD3 LYS A 98 -14.395 32.186 -3.189 1.00 60.33 H new ATOM 0 HE2 LYS A 98 -16.236 31.624 -4.801 1.00 0.42 H new ATOM 0 HE3 LYS A 98 -17.403 31.828 -3.510 1.00 0.42 H new ATOM 0 HZ1 LYS A 98 -17.219 33.823 -4.848 1.00 54.30 H new ATOM 0 HZ2 LYS A 98 -16.689 34.135 -3.265 1.00 54.30 H new ATOM 0 HZ3 LYS A 98 -15.558 33.938 -4.516 1.00 54.30 H new ATOM 1569 N GLU A 99 -11.460 29.556 -3.861 1.00 13.01 N ATOM 1570 CA GLU A 99 -10.582 29.896 -4.975 1.00 22.10 C ATOM 1571 C GLU A 99 -10.006 28.637 -5.618 1.00 20.33 C ATOM 1572 O GLU A 99 -9.705 28.618 -6.810 1.00 44.44 O ATOM 1573 CB GLU A 99 -9.446 30.804 -4.500 1.00 1.21 C ATOM 1574 CG GLU A 99 -8.525 31.262 -5.617 1.00 3.21 C ATOM 1575 CD GLU A 99 -8.220 32.746 -5.551 1.00 33.32 C ATOM 1576 OE1 GLU A 99 -9.100 33.550 -5.924 1.00 45.15 O ATOM 1577 OE2 GLU A 99 -7.102 33.103 -5.125 1.00 63.40 O ATOM 0 H GLU A 99 -11.138 29.889 -2.952 1.00 13.01 H new ATOM 0 HA GLU A 99 -11.174 30.426 -5.721 1.00 22.10 H new ATOM 0 HB2 GLU A 99 -9.873 31.679 -4.010 1.00 1.21 H new ATOM 0 HB3 GLU A 99 -8.858 30.274 -3.750 1.00 1.21 H new ATOM 0 HG2 GLU A 99 -7.592 30.701 -5.567 1.00 3.21 H new ATOM 0 HG3 GLU A 99 -8.984 31.032 -6.578 1.00 3.21 H new ATOM 1584 N ALA A 100 -9.857 27.587 -4.817 1.00 25.32 N ATOM 1585 CA ALA A 100 -9.318 26.324 -5.307 1.00 30.42 C ATOM 1586 C ALA A 100 -10.237 25.705 -6.354 1.00 10.21 C ATOM 1587 O ALA A 100 -9.778 25.032 -7.278 1.00 24.10 O ATOM 1588 CB ALA A 100 -9.106 25.357 -4.151 1.00 71.50 C ATOM 0 H ALA A 100 -10.102 27.586 -3.827 1.00 25.32 H new ATOM 0 HA ALA A 100 -8.356 26.526 -5.779 1.00 30.42 H new ATOM 0 HB1 ALA A 100 -8.703 24.418 -4.531 1.00 71.50 H new ATOM 0 HB2 ALA A 100 -8.405 25.790 -3.438 1.00 71.50 H new ATOM 0 HB3 ALA A 100 -10.058 25.169 -3.655 1.00 71.50 H new ATOM 1594 N LEU A 101 -11.537 25.935 -6.204 1.00 52.12 N ATOM 1595 CA LEU A 101 -12.522 25.399 -7.139 1.00 2.44 C ATOM 1596 C LEU A 101 -12.613 26.267 -8.389 1.00 42.25 C ATOM 1597 O LEU A 101 -12.680 25.756 -9.508 1.00 22.53 O ATOM 1598 CB LEU A 101 -13.893 25.307 -6.467 1.00 62.03 C ATOM 1599 CG LEU A 101 -14.080 24.155 -5.479 1.00 61.14 C ATOM 1600 CD1 LEU A 101 -15.095 24.528 -4.410 1.00 64.44 C ATOM 1601 CD2 LEU A 101 -14.513 22.891 -6.210 1.00 4.11 C ATOM 0 H LEU A 101 -11.934 26.488 -5.445 1.00 52.12 H new ATOM 0 HA LEU A 101 -12.201 24.400 -7.435 1.00 2.44 H new ATOM 0 HB2 LEU A 101 -14.082 26.244 -5.942 1.00 62.03 H new ATOM 0 HB3 LEU A 101 -14.652 25.219 -7.245 1.00 62.03 H new ATOM 0 HG LEU A 101 -13.125 23.961 -4.992 1.00 61.14 H new ATOM 0 HD11 LEU A 101 -15.215 23.696 -3.716 1.00 64.44 H new ATOM 0 HD12 LEU A 101 -14.745 25.406 -3.867 1.00 64.44 H new ATOM 0 HD13 LEU A 101 -16.053 24.750 -4.880 1.00 64.44 H new ATOM 0 HD21 LEU A 101 -14.641 22.081 -5.492 1.00 4.11 H new ATOM 0 HD22 LEU A 101 -15.457 23.073 -6.724 1.00 4.11 H new ATOM 0 HD23 LEU A 101 -13.751 22.613 -6.938 1.00 4.11 H new ATOM 1613 N ASP A 102 -12.614 27.581 -8.194 1.00 34.21 N ATOM 1614 CA ASP A 102 -12.694 28.519 -9.307 1.00 3.52 C ATOM 1615 C ASP A 102 -11.394 28.528 -10.105 1.00 41.01 C ATOM 1616 O ASP A 102 -11.383 28.853 -11.293 1.00 50.51 O ATOM 1617 CB ASP A 102 -13.000 29.928 -8.794 1.00 33.24 C ATOM 1618 CG ASP A 102 -14.433 30.071 -8.319 1.00 14.12 C ATOM 1619 OD1 ASP A 102 -15.352 29.954 -9.158 1.00 24.13 O ATOM 1620 OD2 ASP A 102 -14.637 30.300 -7.108 1.00 63.42 O ATOM 0 H ASP A 102 -12.560 28.021 -7.275 1.00 34.21 H new ATOM 0 HA ASP A 102 -13.501 28.196 -9.964 1.00 3.52 H new ATOM 0 HB2 ASP A 102 -12.323 30.169 -7.975 1.00 33.24 H new ATOM 0 HB3 ASP A 102 -12.809 30.650 -9.588 1.00 33.24 H new ATOM 1625 N LYS A 103 -10.298 28.169 -9.445 1.00 53.21 N ATOM 1626 CA LYS A 103 -8.991 28.134 -10.092 1.00 54.31 C ATOM 1627 C LYS A 103 -8.893 26.957 -11.058 1.00 54.44 C ATOM 1628 O LYS A 103 -8.432 27.109 -12.190 1.00 23.24 O ATOM 1629 CB LYS A 103 -7.882 28.039 -9.042 1.00 40.10 C ATOM 1630 CG LYS A 103 -7.390 29.391 -8.554 1.00 23.22 C ATOM 1631 CD LYS A 103 -6.166 29.850 -9.328 1.00 3.32 C ATOM 1632 CE LYS A 103 -5.752 31.259 -8.930 1.00 24.14 C ATOM 1633 NZ LYS A 103 -4.299 31.496 -9.161 1.00 70.22 N ATOM 0 H LYS A 103 -10.289 27.898 -8.462 1.00 53.21 H new ATOM 0 HA LYS A 103 -8.869 29.057 -10.658 1.00 54.31 H new ATOM 0 HB2 LYS A 103 -8.248 27.466 -8.190 1.00 40.10 H new ATOM 0 HB3 LYS A 103 -7.042 27.486 -9.462 1.00 40.10 H new ATOM 0 HG2 LYS A 103 -8.186 30.128 -8.659 1.00 23.22 H new ATOM 0 HG3 LYS A 103 -7.149 29.330 -7.493 1.00 23.22 H new ATOM 0 HD2 LYS A 103 -5.340 29.162 -9.147 1.00 3.32 H new ATOM 0 HD3 LYS A 103 -6.377 29.820 -10.397 1.00 3.32 H new ATOM 0 HE2 LYS A 103 -6.333 31.983 -9.501 1.00 24.14 H new ATOM 0 HE3 LYS A 103 -5.984 31.422 -7.878 1.00 24.14 H new ATOM 0 HZ1 LYS A 103 -4.056 32.467 -8.878 1.00 70.22 H new ATOM 0 HZ2 LYS A 103 -3.743 30.822 -8.597 1.00 70.22 H new ATOM 0 HZ3 LYS A 103 -4.082 31.365 -10.170 1.00 70.22 H new